[gmx-users] Plotting Energies versus time

Mark Abraham mark.abraham at anu.edu.au
Sat Jun 19 05:41:22 CEST 2010

----- Original Message -----
From: "Justin A. Lemkul" <jalemkul at vt.edu>
Date: Friday, June 18, 2010 23:55
Subject: Re: [gmx-users] Plotting Energies versus time
To: Discussion list for GROMACS users <gmx-users at gromacs.org>

> Rabab Toubar wrote:
> >Hi,
> >
> >I want to extract the values for potential E, kinetic E, total 
> E, and temperature from the log file so as to plot them versus 
> time. In NAMD it is easy to do that using cat |grep, is there a 
> similar way to do it in GMX
> >
> That's what g_energy is for.

Indeed. Perhaps Rabab would learn quite a few things about how GROMACS workflows work by looking through some tutorial material. This lesson must be in at least one of them. :-)


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