From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Thu Jun 17 2010 - 06:31:23 CDT
Try the "collective variables" module, and its harmonic restraint feature.
à la prochaine,
On 17 June 2010 10:30, Nicolas Floquet <nicolas.floquet_at_univ-montp1.fr> wrote:
> Dear NAMD users, we would be interested in applying a distance constraint
> between an atom of a ligand and the Center of Mass of a region of the
> protein (active site). How is it possible within NAMD ?
> Nicolas Floquet
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