[gmx-users] Using g_energy in a noninteractive mode script

Martin Höfling martin.hoefling at gmx.de
Thu Oct 12 20:28:48 CEST 2006

Am Donnerstag, 12. Oktober 2006 19:48 schrieb hseara at netscape.net:
> Dear Users,
> I'm constructing a script to analize my dynamics. I need to run g_energy
> for some of these analisis. I set everything to run  without interaction
> with the exception of the property I want as an output. Any one know how to
> call from bash g_energy totally noninteractive mode. For instace I would
> like box-X as an output. I'm using gromacs v-3.3.1

i have no idea what type of "interaction" g_energy needs but eg. for selecting 
chains in groups when i was asked for indices, i use:

echo -e "chA\n chB\n" | g_xyz -param 1 param 2


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