I have a similar question to the one posted here (see below). I would need to fix some atoms in the unit cell so they do not move, but I would like to have (dump) the forces acting on them... I guess if I do not include the atoms in the fix command the forces won't be calculated???
Am I right??
Steve Plimpton <[email protected]> - 2009-04-16 14:05
If you don't integrate those atoms they won't move. If you
do, and set the force to 0.0, the velocity also needs to be
zero, or they will move.
> Dear Lammps Users,
> I am trying to fix the certain group of the atoms during the simulation.
> I used the fix setforce command to zero the atoms, but it seems to me not working