[gmx-users] Plotting Energies versus time

[Justin A. Lemkul]

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.

-Justin

> Thanks
> Rabab Toubar
> 
> 
> 
>       
> 

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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