Re: Steered MD with NAMD?

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Thu Aug 02 2007 - 15:21:38 CDT

How about using Targeted Molecular Dynamics (TMD) instead? You can
perform TMD with NAMD. Just a suggestion.

Cheers,
Michel

2007/8/2, Vincent Kraeutler <vincent_at_kraeutler.net>:
> this should be a step in the right direction:
>
> http://www.ks.uiuc.edu/Research/namd/2.6/ug/node33.html#SECTION00096600000000000000
>
> ;-)
>
> cheers,
> v.
>
> List wrote:
> > Dear NAMD experts,
> >
> > I have some questions about NAMD. I wonder if it has the feature of
> > steered MD, not the IMD that VMD carries Basically, I have a protein
> > with two conformations, and I need to study the dynamics between the
> > two states to see what events will take place in the transition
> > between the two.
> >
> > Any comments will be greatly appreciated.
> >
> > Zh
> >
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