plot_defaults               Title of this file
l           0               Lists available plot types                                                                                                                                                                                                                                      
p           7               Plot using the current or specified plot type                                                                                                                                                                                                                   
npt         33               Number of types of plot                                                                                                                                                                                                                                         

pt   1

type        1 - EPSR S(Q) fit               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.f01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        3               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Q [1/A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      S(Q)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt   2

type        2 - EPSR S(Q) fit and difference               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.f01 .EPSR.d01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        3               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Q [1/A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      S(Q)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt   3

type        3 - EPSR S(Q) fit and data               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.f01 .EPSR.q01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        3               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Q [1/A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      PSF S(Q)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt   4

type        4 - EPSR S_intra(Q)               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.s01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        3               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Q [1/A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      S_intra(Q)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt   5

type        5 - EPSR F(Q) fit               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.u01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        2               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Q [1/A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      F(Q)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt   6

type        6 - EPSR F(Q) fit and difference               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.u01 .EPSR.v01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0.3               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Q [1/\305]               x-axis label                                                                                                                                                                                                                                                    
ylabel      F(Q)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt   7

type        7 - EPSR F(Q) fit and data               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.u01 .EPSR.t01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Q [1/A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      F(Q)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      no               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt   8

type        8 - EPSR site-site g(r)               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.g01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           watera               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          1.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [\306]               x-axis label                                                                                                                                                                                                                                                    
ylabel      g(r)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt   9

type        9 - EPSR site-site g(r) fit and data               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.g01 .EPSR.r01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          1.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      g(r)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  10

type        10 - EPSR g_intra(r) fit               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.y01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        2               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      g_intra(r)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  11

type        11 - EPSR f(r) fit               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.x01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0.5               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      f(r)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  12

type        12 - EPSR f(r) fit and data               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.x01 .EPSR.w01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0.2               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [\305]               x-axis label                                                                                                                                                                                                                                                    
ylabel      f(r)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  13

type        13 - EPSR empirical potentials               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.p01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        5               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [\305]               x-axis label                                                                                                                                                                                                                                                    
ylabel      u(r) [kJ/mole]               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  14

type        14 - EPSR energy               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.erg               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 1               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      10               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     1               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        30               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Iteration number               x-axis label                                                                                                                                                                                                                                                    
ylabel      U [kJ/mole]               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     0               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  15

type        15 - EPSR pressure               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.erg               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 1               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      10               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          5               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Iteration number               x-axis label                                                                                                                                                                                                                                                    
ylabel      P [kbar]               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     0               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  16

type        16 - SHARM coefficients               Type of plot                                                                                                                                                                                                                                                    
ext         .SHARM.h01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl-l6               File name to plot                                                                                                                                                                                                                                               
b           40 3 1               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        -8               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        4               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        2               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.2               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      h(r)               y-axis label                                                                                                                                                                                                                                                    
logx        n               log scale x (y or no)                                                                                                                                                                                                                                           
logy        n               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        y               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  17

type        17 - Cluster size distribution               Type of plot                                                                                                                                                                                                                                                    
ext         .CLUSTERS.n01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           <undefined>               File name to plot                                                                                                                                                                                                                                               
b           <undefined>               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1.0e-4               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          0.1               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Cluster size               x-axis label                                                                                                                                                                                                                                                    
ylabel      Cluster probability               y-axis label                                                                                                                                                                                                                                                    
logx        yes               log scale x (y or no)                                                                                                                                                                                                                                           
logy        yes               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  18

type        18 - Torsional angle distribution               Type of plot                                                                                                                                                                                                                                                    
ext         .TOR.c01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           <undefined>               File name to plot                                                                                                                                                                                                                                               
b           <undefined>               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        -180               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        180               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          0.1               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Angle (deg.)               x-axis label                                                                                                                                                                                                                                                    
ylabel      Probability               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  19

type        19 - EPSR R-factor               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.erg               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 1               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      10               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     3               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Iteration number               x-axis label                                                                                                                                                                                                                                                    
ylabel      R-factor               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     0               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  20

type        20 - PARTIALS g(r)               Type of plot                                                                                                                                                                                                                                                    
ext         .PARTIALS.g01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           <undefined>               File name to plot                                                                                                                                                                                                                                               
b           <undefined>               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          1.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      g(r)               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  21

type        21 - EPSR g(r) and N(r)               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.g01 .EPSR.z01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        8               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        8               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1 1               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          1.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      g(r) and N(r)               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  22

type        22 - Triangles               Type of plot                                                                                                                                                                                                                                                    
ext         .TRI.c01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterh               File name to plot                                                                                                                                                                                                                                               
b           6 - 21               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        180               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0.012               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0.002               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          0.2               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.01               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      theta [deg.]               x-axis label                                                                                                                                                                                                                                                    
ylabel      p(theta)               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   yes               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  23

type        23 - Coordination No.               Type of plot                                                                                                                                                                                                                                                    
ext         .COORD.n01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 1               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      4               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        10               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          0.5               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Coord no.               x-axis label                                                                                                                                                                                                                                                    
ylabel      Probability               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   yes               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  24

type        24 - Chains               Type of plot                                                                                                                                                                                                                                                    
ext         .CHAINS.n01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           <undefined>               File name to plot                                                                                                                                                                                                                                               
b           <undefined>               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      4               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     4               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Chain length               x-axis label                                                                                                                                                                                                                                                    
ylabel      Chain Probability               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        yes               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  25

type        25 - Chi-square v. Abs. Energy               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.erg .EPSR.erg               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 2               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      7               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     3 6               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Absolute energy [kJ/mole]               x-axis label                                                                                                                                                                                                                                                    
ylabel      R-factor               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     4               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  26

type        26 - Voids               Type of plot                                                                                                                                                                                                                                                    
ext         .VOIDS.n01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           <undefined>               File name to plot                                                                                                                                                                                                                                               
b           <undefined>               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      6               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1.0e-4               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          0.1               x coordinate of labels                                                                                                                                                                                                                                          
yf          1.0e-4               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Void size               x-axis label                                                                                                                                                                                                                                                    
ylabel      Void distribution               y-axis label                                                                                                                                                                                                                                                    
logx        yes               log scale x (y or no)                                                                                                                                                                                                                                           
logy        yes               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  27

type        27 - Rings               Type of plot                                                                                                                                                                                                                                                    
ext         .RINGS.n01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           <undefined>               File name to plot                                                                                                                                                                                                                                               
b           <undefined>               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      4               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     4               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Ring length               x-axis label                                                                                                                                                                                                                                                    
ylabel      Ring Probability               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        yes               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  28

type        28 - Fluctuations               Type of plot                                                                                                                                                                                                                                                    
ext         .FLUCTUATIONS.n01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           3               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2 2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        -20               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        20               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0.1               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.025               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      N-<N>               x-axis label                                                                                                                                                                                                                                                    
ylabel      P(N)               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  29

type        29 - Abs. energy               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.erg               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 1               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      10               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     4               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Iteration number               x-axis label                                                                                                                                                                                                                                                    
ylabel      Abs Energy [kJ/mol]               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     0               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  30

type        30 - Control level v. abs. energy               Type of plot                                                                                                                                                                                                                                                    
ext         .EPSR.erg .EPSR.qdr               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 1               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      10               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     7 5               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        1               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0.1               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      Abs. energy [kJ/mol]               x-axis label                                                                                                                                                                                                                                                    
ylabel      Control level and fit               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     4               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  31

type        31 - mapgrentropy               Type of plot                                                                                                                                                                                                                                                    
ext         .mapgrentropy.s01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           <undefined>               File name to plot                                                                                                                                                                                                                                               
b           <undefined>               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          100               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      Excess entropy [J/mole/K]               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  32

type        32 - mapgr               Type of plot                                                                                                                                                                                                                                                    
ext         .mapgr.g01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           <undefined>               File name to plot                                                                                                                                                                                                                                               
b           <undefined>               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      2               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     2               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          10.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          100               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      Mapped g(r)               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            

pt  33

type        33 - lsi               Type of plot                                                                                                                                                                                                                                                    
ext         .LSI.n01               File extension(s) used to search for plot files                                                                                                                                                                                                                 
f           waterl               File name to plot                                                                                                                                                                                                                                               
b           1 - 1               Block numbers to plot (e.g. 1 2 - 5 9 - 6)                                                                                                                                                                                                                      
bspace      6               Spacing between blocks in plot file                                                                                                                                                                                                                             
boffset     6               Column number(s) for first block(s) in plot file(s)                                                                                                                                                                                                             
xmin        0               Minimum value on x-axis                                                                                                                                                                                                                                         
xmax        0               Maximum value on x-axis                                                                                                                                                                                                                                         
ymin        0               Minimum value on y-axis                                                                                                                                                                                                                                         
ymax        0               Maximum value on y-axis                                                                                                                                                                                                                                         
ydel        0               Spacing between plots [0]                                                                                                                                                                                                                                       
yshift      0               Overall y-shift on all plots [0]                                                                                                                                                                                                                                
yfact       1.0 1.0               Factor(s) outside y values                                                                                                                                                                                                                                      
xf          0.0               x coordinate of labels                                                                                                                                                                                                                                          
yf          0               y coordinate of labels                                                                                                                                                                                                                                          
title       <undefined>               Title of plot                                                                                                                                                                                                                                                   
xlabel      r [A]               x-axis label                                                                                                                                                                                                                                                    
ylabel      Mapped g(r)               y-axis label                                                                                                                                                                                                                                                    
logx        no               log scale x (y or no)                                                                                                                                                                                                                                           
logy        no               log scale y (y or no)                                                                                                                                                                                                                                           
xcolumn     1               column number for x values [normally 1 or 0]                                                                                                                                                                                                                    
histogram   no               histogram data? (y or no)                                                                                                                                                                                                                                       
legend      y               Show legend? (y or no)                                                                                                                                                                                                                                          
grid        no               Show grid? (y or no)                                                                                                                                                                                                                                            
q
