[gmx-users] g_energy & graph .xvg

Mark Abraham mark.abraham at anu.edu.au
Tue Jun 1 09:56:36 CEST 2010

----- Original Message -----
From: Carla Jamous <carlajamous at gmail.com>
Date: Tuesday, June 1, 2010 17:48
Subject: [gmx-users] g_energy & graph .xvg
To: Discussion list for GROMACS users <gmx-users at gromacs.org>

> Hi everyone, 
> please  I have a practical question that may sound stupid but I can't figure out the answer.
> When I run g_energy 
> I type the Energies I need, for example:
> 10 (Potential)
> 14 (Kinetic)
12 (Total)
> My problem is even though I get the averages of the 3 energies on my screen, I can't get the three energies on the same graph (.xvg file).

Well they have wildly different values, so plotting all three together means you can't see any fluctuations, so you might as well just look at the averages... If you want all three with fluctuations, then you'll need to play with the plotting program's functionality for representations and axes (for xmgrace). See http://www.gromacs.org/Documentation/How-tos/Graphing_Data for various ideas on plotting.


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