VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Mar 03 2005 - 15:15:02 CST

Hi,
  You might want to have a look at the "MDEnergy" tool by Jan Saam
and see if it meets your needs:
  http://www.ks.uiuc.edu/Development/MDTools/mdenergy/

  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Mar 02, 2005 at 04:43:45PM -0800, Harindar Keer wrote:
> Hi,
>
> I need to compute the pair-interaction energy calculations for large
> number of different pairs in the same protein complex.
> Can somebody suggest me the efficient way to do so rather than preparing
> separate configuration file for all the pairs.
>
> Many thanks,
> Harindar 

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