From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue Mar 13 2012 - 01:32:45 CDT
maybe you search for zeromomentum?
> -----Ursprüngliche Nachricht-----
> Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im
> Auftrag von Markus K. Dahlgren
> Gesendet: Dienstag, 13. März 2012 00:54
> An: namd-l_at_ks.uiuc.edu
> Betreff: namd-l: center of mass movement removal throughout simulation?
> 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
> 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
> Any insight would be greatly appreciated.
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:21:19 CST