AW: center of mass movement removal throughout simulation?

From: Norman Geist (
Date: Tue Mar 13 2012 - 01:32:45 CDT

Hi Markus,

maybe you search for zeromomentum?


Norman Geist.

> -----Ursprüngliche Nachricht-----
> Von: [] Im
> Auftrag von Markus K. Dahlgren
> Gesendet: Dienstag, 13. März 2012 00:54
> An:
> Betreff: namd-l: center of mass movement removal throughout simulation?
> Hi!
> I have seen that there have been mailing list mails asking this before,
> but I
> did not find a post where it was resolved.
> The COMmotion keyword in NAMD removes the center of mass movement. But
> it only
> does it initially. After a while my protein complexes start to move
> around in
> the box and it becomes a mess trying to view the trajectory after using
> the PBC
> plugin.
> Is there a way in NAMD to remove the center of mass movement every
> frame? This
> if possible in some other MD software, such as OpenMM. If it is not
> possible to
> do this every frame, can I put in a feature request for future
> developments for
> this?
> Any insight would be greatly appreciated.

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