Re: [AMBER] Extract MD co-ordinates

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Mon, 5 May 2014 10:27:24 -0600

You can use the CPPTRAJ 'trajin' command with start/stop arguments
followed by 'trajout'. For example, say you have written 1 frame every
ps and you want to extract frames from 10-12 ns:

trajin 50ns.nc 10000 12000
trajout 10-12ns.nc netcdf

Hope this helps,

-Dan

On Mon, May 5, 2014 at 8:19 AM, Soumendranath Bhakat
<bhakatsoumendranath.gmail.com> wrote:
> Hi All;
>
> It might be a bit stupid. But can anyone please suggest how to extract MD
> cordinates from a long run.
>
> Suppose I ran 50ns MD simulation but I want to extract mdcrd for 2ns time
> frame. How to extract mdcrd corresponding to 2ns timeframe from a 50ns MD
> simulation?
>
> --
> Thanks & Regards;
> Soumendranath Bhakat
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon May 05 2014 - 09:30:07 PDT
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