I want to simulate the water, For that I am defining bond coefficients But I am getting error after bond_coeff ' Numeric index is out of bonds'. I have given below the log file contents. Can you help me? Thank you so much! units real atom_style full read_data data.water pair_style lj/cut/coul/long 14.0 bond_style harmonic angle_style harmonic kspace_style ewald 1.e-4 pair_modify mix arithmetic bond_coeff 1 200 1.0 angle_coeff 1 harmonic 0.0 104.52 pair_coeff 1 1 lj/cut/coul/long 0.185207 3.1589 pair_coeff 2 2 lj/cut/coul/long 0.0 2.058 neigh_modify exclude type 1 2 exclude type 2 2 velocity all create 200.0 87287 fix 1 all nve run 300
If you post a small data file that triggers the problem w/ this input
script, someone can test it.
This usually means that you have defined more lj coefficients than the types in the data file.
Or bond types