[gmx-users] Index selection in g_potential

Andrew DeYoung adeyoung at andrew.cmu.edu
Wed May 16 17:30:32 CEST 2012


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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