VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Mar 08 2010 - 14:34:04 CST

Hi,
  You can use the "measure avpos" command for this if I understand
your question correctly. You can also use "measure center" to compute
geometric center, center of mass, etc. Please see the VMD User's Guide
for details.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Mar 08, 2010 at 02:04:47PM -0500, Katherine Parra wrote:
> Hello VMD Community.
> I would like to know if there is a way to calculate the mean atom position
> of a selection of atoms during a trajectory.
> I know this is calculated in RMSD and other scripts, to be used in
> different calculations, but I would like to have just the mean position of
> the atoms.
> Help will be appreciated.
> KP 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
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