Dear Justin
Many Thanks. The correspondence between statistical mechanics and simulation
results is beautiful :)
________________________________
From: Justin A. Lemkul <jalem...@vt.edu>
To: delara aghaie <d_agh...@yahoo.com>; Discussion list for GROMACS users
<gmx-users@gromacs.org>
Sent: Saturday, 16 June 2012, 18:12
Subject: Re: [gmx-users] pressure-lyzozyme tutorial
On 6/16/12 9:40 AM, delara aghaie wrote:
> Dear Gromacs users
>
> 1)) I want to know a way to have running averages on plots. I usually draw my
> plots using gnuplot.
> In Lyzozyme tutorial, we see a graph for pressure. ( I want to have something
> like that)
>
I used XmGrace for that plot, as well as everything else I do, so I can't
comment on this question.
> 2)) in that tutorial, The average press is about 1 bar, but the fluctuations
> of
> the pressure reach 200 and -200 bar. Is it correct to say the pressure is 1
> bar,
> when we see these great fluctuations?...
>
Please read http://www.gromacs.org/Documentation/Terminology/Pressure.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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