[gmx-users] g_energy non-interactive

[David van der Spoel]

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...
> 

echo " 7 9 0 " | g_energy

see wiki.
> 
> 
> ===============================
> 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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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se