VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Apr 06 2005 - 13:33:12 CDT

Jason,
  Which specific amber input file type are you loading? I'll need to check
the plugin for the file format you're reading to determine whether it
reads box dimensions etc. Regarding center-of-mass calculations, there's
an example script in the VMD User's Guide:
  http://www.ks.uiuc.edu/Research/vmd/current/ug/node177.html#13492

Enjoy,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Apr 06, 2005 at 01:39:08PM -0400, jbaucom_at_unity.ncsu.edu wrote:
> Once VMD reads in coordinates from an amber input file, are the
> box dimensions stored anywhere? If so, how can I access them?
>
> I'm also looking to automate the process of finding the center of
> mass. I'm not looking to move the structures, just locate it. Anyone
> have a script handy for such a process?
>
> Jason 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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