[lammps-users] A question about lj/cut/coul/long/tip4p

Dear LAMMPS users,

I have a question about using lj/cut/coul/long/tip4p and lj/cut/coul/long

In my system, I have water in tip4p model and also I have other molecules to be calculated with normal LJ and Coulomb potentials.

Can I just use

pair_style lj/cut/coul/long/tip4p 21 22 25 70 0.1250 10.0

to calculate the potential both for water molecule and other molecules? And also the interaction between water and other molecules?

Most appreciate for your help.

Best Yajie

Yes. The code will work as a standard lj/cut/coul/long except for the TIP4P interactions, which are handled separately.

–AEI

Thank you very much, Ahmed.

Best
Yajie