[gmx-users] remove center of mass motion

[M. Emal Alekozai]

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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