[gmx-users] remove center of mass motion
M. Emal Alekozai
memala at gmx.net
Wed Aug 6 22:43:02 CEST 2008
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  in the Gromacs mailinglist but no answer to it.
Psssst! Schon das coole Video vom GMX MultiMessenger gesehen?
Der Eine für Alle: http://www.gmx.net/de/go/messenger03
More information about the gromacs.org_gmx-users