VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Feb 07 2005 - 10:33:32 CST

Hi,
  I bounced your question to Jim Phillips, the main NAMD developer.
We have a separate email address for NAMD questions like this one,
namd_at_ks.uiuc.edu, or namd-l_at_ks.uiuc.edu for the NAMD mailing list.

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Feb 07, 2005 at 11:28:24AM -0500, Ekta Khurana wrote:
> Hello all,
> I want to do SMD by pulling the center of mass of two groups of
> atoms away from each other (two peptide rings). The way SMD is
> currently implemented in NAMD I can only pull one away from the
> other. Could someone suggest a solution for this? Can I use a TCL
> script for the purpose?
> Thanks in advance,
> Ekta
> 

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NIH Resource for Macromolecular Modeling and Bioinformatics
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