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
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