[gmx-users] index file

Elisabeth katesedate at gmail.com
Wed Mar 30 14:54:21 CEST 2011

Dear gromacs users,

I am planning to produce C-C rdf for my system and I have difficulty making
the index file with a group of all C in the system, [Carbon] . .If there are
thousands of atoms in the system do I have to go through the top file and
note down C atom numbers and use those numbers to make a group in the index
file? What is the easiest way of doing this using make_ndx features..

Thank you for your hints..
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110330/d3312445/attachment.html>

More information about the gromacs.org_gmx-users mailing list