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
personally I would go for the VMD post-processing.
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>
> > 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.
> > 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.
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:20:13 CST