# Settings for trajectory analysis
ensemble  NVT
timestep 1.0 fs

input_geometry_format  vasp 
change_chemistry False

&input_composition
  atomic_species  5
  tags       Cu  C-kp H-kp  N-kp O-kp
  amounts    32 132  60  12  30
  elements   Cu   C    H    N    O
&end_input_composition

&selected_NN_distances
  reference_species    Cu
  nn_species      4    H-kp C-kp N-kp O-kp
  #nn_species      1   Cu
  lower_bound    1.90   Angstrom
  upper_bound    2.75   Angstrom
  dr             0.05   Angstrom
&end_selected_NN_distances

&rdf
 dr 0.05  Angstrom
 tags_species_a  1  Cu
 tags_species_b  4  O-kp C-kp N-kp H-kp
# tags_species_b  1  Cu 
&end_rdf
