VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Oct 12 2010 - 15:34:49 CDT

Hi,
  At present, you'll need to use Tcl to call the "namdenergy" plugin,
or there are ways to generate Tcl commands from within Python in VMD
if you prefer to pursue that option.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Sep 29, 2010 at 05:04:25PM +0100, David Huggins wrote:
> Dear All,
> I am currently trying to run a python script from the command line to
> analyse a NAMD trajectory with VMD. Is there a method to calculate an
> interaction energy using a python script or do I need to use a tcl/tk
> script and call the namdenergy package?
> Thanks very much,
> Dave 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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