Ok, I might look dumb right now...
Anyway, it's a much more convenient tool than gnuplot or xmgrace.
Especially for beginners like me.
Could the tutorial on the website be updated to mention it ?
Thank you for your time Jason
Le 01/02/2016 20:53, Jason Swails a écrit :
> 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
>
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Received on Mon Feb 01 2016 - 13:00:03 PST
