Re: [AMBER] rst to mdcrd

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 11 Aug 2011 09:32:55 -0400

On Thu, Aug 11, 2011 at 9:16 AM, <waqasuddin.khan.iccs.edu> wrote:

> Thanks Ross, but is there any way to put the whole information in just one
> .rst file rather than getting multiple numbered .rst files???
>

Only trajin a single frame

trajin filename.crd 1 1 1
trajout foo.rst restart

It will still be numbered, but you will only get one. If you want the 8th
frame, change the above numbers to

8 8 1

Which means "start at 8th frame, end at 8th frame, taking every 1 frames".

HTH,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Aug 11 2011 - 07:00:03 PDT
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