VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Jun 02 2010 - 11:02:40 CDT

Hi,
  You can either do this with the "NAMDEnergy" plugin, or by running
NAMD manually with the right config file etc:
  http://www.ks.uiuc.edu/Research/vmd/plugins/namdenergy/

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Jun 02, 2010 at 01:29:38PM +0100, ban arn wrote:
> Hi All,
>
> I would like to calculate interaction energy of protein and ligand over
> trajectories.
>
> Can anyone suggest me is there any script available for doing the same in
> VMD.
>
> Many Thanks
> Balaji 

-- 
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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