VMD-L Mailing List

From: Leonardo Trabuco (ltrabuco_at_ks.uiuc.edu)
Date: Tue Nov 04 2008 - 20:11:01 CST

Dear Chris,

On Tue, Nov 4, 2008 at 9:59 AM, Christopher Hartshorn
<cmhartshorn_at_wsu.edu> wrote:
> Hi there. I am trying to use VMD to track a subset of atoms from my sims.
> The atoms all lie in roughly the same plane and I want to track their
> positional average on a frame by frame basis. Can VMD do this and if so
> what would be the commands? Thank you in advance.

You could loop over the frames and call the 'measure avpos' command:
http://www.ks.uiuc.edu/Research/vmd/current/ug/node124.html

Cheers,
Leo

>
> Chris Hartshorn
> Washington State University
>
> 

-- 
Leonardo Trabuco, Ph.D. candidate
Theoretical and Computational Biophysics Group
University of Illinois at Urbana-Champaign