Re: [AMBER] Replacement for xmgrace

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 1 Feb 2016 14:53:43 -0500

On Mon, Feb 1, 2016 at 2:27 PM, Jean-Patrick Francoia <
jeanpatrick.francoia.gmail.com> wrote:

> Sorry, I misunderstood. Here you are (again).


​Yea, that's the summary file generated by process_mdout.pl. The point of
mdout_analyzer.py is that it natively reads mdout files. So you don't have
to generate the summary.ENERGY files in the first place -- just give it raw
mdout files.

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Feb 01 2016 - 12:00:05 PST
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