tip4p water with other types of atoms

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1

Dear lammps users,

I am studying a system of ions dissolved in tip4p water. For tip4p model I have to use kspace_style tip4p. However, I have also atoms of other types in my system. How does lammps identify which atoms are water? Should I change anything in my input script?

The force field is given as

kspace_style pppm/tip4p 1.0e-5

pair_coeff 1 1 0.0 0.0
pair_coeff 1 2 0.0 0.0
pair_coeff 2 2 0.18520 3.1589

pair_coeff 1 3 0.0 3.262
pair_coeff 2 3 0.131 3.21
pair_coeff 3 3 0.0926 3.262

…

Any advices are appriciated.

Regards,
Boris

2

Dear lammps users,

I am studying a system of ions dissolved in tip4p water. For tip4p model I have to use kspace_style tip4p. However, I have also atoms of other types in my system. How does lammps identify which atoms are water?

through the pair_style command. please read about it in the manual.

axel.