[lammps-users] How to compute the forces between two groups of atoms?

LAMMPS LAMMPS Mailing List Mirror
1

Hi all:

I wonder how to calculate the forces between two groups of atoms
use compute pressure or other?
Can this method OK?

fix ID group_2 setforce 0 0 0
velocity group_2 set 0 -1 0 units box
thermo 50
thermo_style custom step temp press pe f_ ID[2]#force in y direction

2

The compute group/group command will
calculate the total energy/force between
2 groups of atoms.

Steve

2011/1/28 Zhang Yan <[email protected]...>: