[gmx-users] Index selection in g_potential

cuong nguyen nvcuong68 at gmail.com
Thu May 17 07:27:10 CEST 2012


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


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
> --
> gmx-users mailing list    gmx-users at gromacs.org
> 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120517/f07a501b/attachment.html>

More information about the gromacs.org_gmx-users mailing list