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 <[email protected]> > 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 > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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