Re: Monte Carlo with NAMD

From: harish vashisth (
Date: Tue Sep 23 2008 - 11:38:29 CDT

Dear Neelanjana,
               NAMD, as you know, is a molecular dynamics code and MC
simulations are altogether different. I have performed MC-docking
simulations by writing a tcl script which runs under VMD. But, I am not sure
what you are thinking in terms of MC regarding to whatever conformational
search you refer? If you can be more explicit about it--people might give
some more ideas.


On Tue, Sep 23, 2008 at 11:50 AM, Neelanjana Sengupta

> Dear NAMD community,
> Has anybody performed a conformational search/Monte-Carlo simulation using
> NAMD? I did not really find any instances in searching the mailing list, nor
> did I find any instructions in the manual. It would be great if someone has
> any idea.
> Thanks and regards,
> Neelanjana Sengupta

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