Re: [AMBER] relaxation time

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 28 May 2012 09:57:03 +1000

On May 27, 2012, at 4:59 PM, kirtana S <skirtana4.gmail.com> wrote:

> can I obtain the velocity of selected residues if I have not
> turned on the mdvel option in my mdin file.

Not unless you set ntwx=1 to get coordinates every step.

HTH,
Jason

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sun May 27 2012 - 17:00:02 PDT