Re: Initial and final state fix MD

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Thu Oct 04 2007 - 16:56:58 CDT

Try targeted MD.

http://www.ks.uiuc.edu/Research/namd/2.6/ug/
node33.html#SECTION00096500000000000000

On Oct 4, 2007, at 4:21 PM, Ugur Akgun wrote:

> Dear All;
> I have two positions of a small peptide. I want to simulate the
> steps between .
> Is there any way to run MD simulation with known beginning and end
> configurations?
> This is not like pulling few atoms..
> Can NAMD do this?
> I'd really appreciate any help.
> Thanks a lot.
> Cheers
>
> Peek-a-boo FREE Tricks & Treats for You! Get 'em!

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