From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Tue May 10 2011 - 11:10:48 CDT
If you really want to output the COM during the simulation you can also
define three distanceZ colvars
http://www.ks.uiuc.edu/Research/namd/2.8b1/ug/node55.html#SECTION000132160000000000000
<http://www.ks.uiuc.edu/Research/namd/2.8b1/ug/node55.html#SECTION000132160000000000000>But
personally I would go for the VMD post-processing.
Best regards,
Ajasja
On Tue, May 10, 2011 at 18:01, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
> On Tue, May 10, 2011 at 11:54 AM, Jacopo Sgrignani <sgrigna_at_sissa.it>
> wrote:
> > Dear All
> > i would like to print (preferably as pdb, but also as xyz is ok) the
> > ligand center of mass during an MD trajectory.
> > Does anybody know an useful command to do this?
>
> this is most easily done with post-processing the trajectory in VMD.
>
> axel.
>
>
> >
> > Thanks a lot
> >
> > Jacopo
> >
> >
>
>
>
> --
> Dr. Axel Kohlmeyer
> akohlmey_at_gmail.com http://goo.gl/1wk0
>
> Institute for Computational Molecular Science
> Temple University, Philadelphia PA, USA.
>
>
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