[gmx-users] misunderstanding comm-grps

[Miro Astore]

Hi everyone,

I have tried using comm_grps to try and remove center of mass motion
from my system.

I used the following configuration

comm_grps               = non-Protein Protein
nstcomm                 = 100
comm_mode               = linear
comm_grps               = non-Protein Protein
                                  refcoord_scaling        = com

But I still get considerable drift in my protein. Am I
misunderstanding what comm is actually doing and I should use the
pulling code if I want my protein to stay in the center of the box?

Best, Miro