Dear All,
I have a trajectory where the center of mass motion is not removed. In the
mdrun.mdp file the option "comm-grps" was commented out:
; mode for center of mass motion removal =
comm-mode = Linear
; number of steps for center of mass motion removal =
nstcomm = 1
; group(s) for center of mass motion removal =
;comm-grps = Protein SOL
How can I remove the center of mass motion form a trajectory which was created
with the above settings?
I found an old posting [1] in the Gromacs mailinglist but no answer to it.
1: http://www.gromacs.org/pipermail/gmx-users/2006-November/024751.html
Thanks
Emal
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