Re: Re: Generating .tpr file using NAMD files

From: Jeffrey Potoff (jpotoff_at_chem1.eng.wayne.edu)
Date: Mon Dec 19 2011 - 12:05:56 CST

This place to start is to figure out how to run simulations in Gromacs,
first. After you get a handle on that, using the analysis tools on NAMD
files is fairly easy.

http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/15279.html

On 12/19/2011 1:32 AM, rajitha tatikonda wrote:
> Hi,
>
> I have performed MD simulation for my system using NAMD and for analysis i am intending to use gromacs analysis tools but as this require .trr and .tpr files, i could convert my .dcd file to .trr using cat dcd and i am unable to generate .tpr file. I have gone through namd mailing list but did not understand how it is to done .Any help will be highly appreciated.
>
>
>
>
>
> Thankyou,
>
>
>
> Rajitha
> Ph.D student
> IIIT-H
> India
>

-- 
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Jeffrey J. Potoff			  jpotoff_at_wayne.edu
Associate Professor			  Wayne State University		
Department of Chemical Engineering and Materials Science
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Detroit, MI 48202  	             Fax:  (313)578-5815
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