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.
Steve
This usually means that you have defined more lj coefficients than the types in the data file.
Arun
Or bond types