[gmx-users] g_energy non-interactive

[Justin A. Lemkul]

Vitaly Chaban wrote:
> Hi,
> 
> Is there a possibility to control g_energy output via command line
> without interactive selection? I have found nothing about this in the
> help message.
> 
> We have a bunch of the alike systems, so we exactly know what numbers
> correspond to the wanted energy terms. If there many alike systems it's very
> inconvenient to process every ener.edr by hand...
> 
> 

http://wiki.gromacs.org/index.php/Making_Commands_Non-Interactive

-Justin

> 
> ===============================
> Vitaly V. Chaban, Ph.D.(ABD)
> School of Chemistry
> V.N. Karazin Kharkiv National University
> Svoboda sq.,4, Kharkiv 61077, Ukraine
> email: chaban at univer.kharkov.ua,vvchaban at gmail.com
> skype: vvchaban, mob.: +38-097-8259698
> 
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
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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