[gmx-users] Index selection in g_potential

[cuong nguyen]

Hi,

if you want to calculate the potential of some groups (0, 3, 11), using
make_ndx to creat a new group consisting of these groups. Then running
g_potential.

Cuong



2012/5/16 Andrew DeYoung <adeyoung at andrew.cmu.edu>

> 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.
>
> Thanks for your time!
>
> Andrew DeYoung
> Carnegie Mellon University
>
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