[lammps-users] Compute force between certain groups – LAMMPS Mailing List Mirror

Dear LAMMPS users,

I want to calculate interaction forces between many groups. And each group consists of several atoms.
The simulation box is assigned with periodic boundary condition in each dimension, and the pair_syle is the lj/cut/coul/long (kspace_style pppm).

The problem is that the number of goups is around 80, which indicate the code “compute group/group” is not applicable.
Also, code “force/tally” can not provide desired result since it ignores the Kspace interactions.
So, is there any commond for it?

Thanks in advance

Jianbo Wang

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