[gmx-users] How to use g_energy after parellal mdrun

[Jochen Hub]

vivek sharma wrote:
> Hi There,
> I am running gromacs in a parellel architecture using -np 20.
> Now I want to generate the energy plot using g_energy, but there are 
> 20 .edr files.
Really? I get only one ener.edr, even in parallel mode. Or did you use 
-multi?

Jochen




> How should I use the g_energy command or which .edr file I should use?
>
> Any suggestion would be of great help..
>
> With Thanks,
> Vivek
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-- 
************************************************
Dr. Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
Tel.: +49 (0)551 201-2312
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