From: Gungor Ozer (gungor.ozer_at_gmail.com)
Date: Thu Oct 04 2007 - 16:57:01 CDT
Targeted Molecular Dynamics (TMD) seems to help for that kind of problems.
http://www.ks.uiuc.edu/Research/namd/2.6/ug/node33.html#SECTION00096500000000000000
Hope this would help...
-gungor
On 10/4/07, Ugur Akgun <ugur_iowa_at_hotmail.com> 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
>
> ________________________________
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-- -gungor
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