3
mapgrentropy
mapgrentropy waterh
mapgrentropy waterl
setup plot3djmol watera
save
u
50
2 3.1
0.5
1 1 0
50 10
watera2
<none>
rmin_rmax
3.1 4.9
0.3
e
plot3djmol watera1
setup plot3djmol
q
setup plot3djmol watera2
rgbobj
1 0.7 0.7
setup plot3djmol watera1
waterb
nextfile
waterb2
waterc
setup plot3djmol waterb1
waterc2
plot3djmol waterb1
plot3djmol waterc1
plot3djmol waterb2
setup plot3djmol waterb2
setup plot3djmol waterc1
plot
pt 8
f watera
b 1 - 3
p
b 3 2
1b 3 2 1
b
3 2 1
ymax
xmax 10
ydel 1.5
legend no
xf 8
yf
xlabel
r [\305]
f waterb
f waterc
pt 7
ps
ss
ss run.txt
setup epsr waterb
ireset 2
y
f
ed run.txt
setup triangles watera
n
watera-2016
0
2
3.2
OW
HW
1
triangles 1
1.4
waterb-2016
waterc-2016
2 5
plot3djmol watera
plot3djmol waterb
plot3djmol waterc
setup epsr watera
nsumt
nsumt 0
setup epsr waterc
setup triangles watera-2016
setup triangles waterb-2016
setup triangles waterc-2016
thresh
0.0
0.1
thresho
ereq
30
0 1
ereq 30
plot3djmol
itrans 1
rotelev
setup plot3djmol waterb
radmax
roteleve
setup
pt 30
pt 32
f search
waterl
fact
0.0295
f waterh
yfact
0.0402
f waterl
yfact 0.0295
yfact 0.03387
0.03387
268
20000
0.03624
0.03806
258
ntrials
epsr watera
ireset
160
16
OW HW
nr 160
nr
es
setup epsr waterd
Q
setup lsi waterl_tri
lsi waterl_tri
setup lsi waterh_tri
9
lsi waterh_tri
setup lsi waterb_tri
lsi waterb_tri
setup lsi watera_tri
lsi watera_tri
setup  lsi waterl_tri_lim
lsi waterl_tri_lim
setup lsi watera_tri_lim
lsi watera_tri_lim
setup lsi waterl_tri_lim
setup lsi waterc_tri
setup lsi waterd_tri
setup lsi waterb_tri_lim
setup lsi waterc_tri_lim
setup lsi waterd_tri_lim
setup lsi waterh_tri_lim
pwd
