[gmx-users] Index selection in g_potential

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


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

More information about the gromacs.org_gmx-users mailing list