Re: print center of mass

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue May 10 2011 - 11:01:35 CDT

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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