Re: Steered MD with NAMD?

From: Vincent Kraeutler (vincent_at_kraeutler.net)
Date: Thu Aug 02 2007 - 14:47:06 CDT

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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