[gmx-users] Index selection in g_potential

Justin A. Lemkul jalemkul at vt.edu
Wed May 16 17:46:46 CEST 2012

On 5/16/12 11:30 AM, Andrew DeYoung wrote:
> Hi,
> I am using the utility g_potential.  It takes (among other files) an index
> file.  At the beginning of the run, it prompts me for a selection from the
> index file.  Is it possible to make more than one selection, such that the
> potential is calculated for each selection, _separately_?  If I enter
> something like this:
> 0 3 11
> The output seems to only include the potential due to the first selection
> ("0") and seems to ignore the others.

If you want multiple groups analyzed, you have to invoke g_potential multiple 
times, providing the different groups (individually) each time.



Justin A. Lemkul, Ph.D.
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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