[gmx-users] g_rdf -com

mohammad agha mra_bu at yahoo.com
Sun Nov 27 12:27:42 CET 2011

Dear Prof.

I have a question about g_rdf.
I have a box consists of 500 surfactants that make 10 micelle. I want to compute rdf for surfactant relative to the center of mass of micelle.
When I do g_rdf, the program ask me 2 groups that the first one is COM, but it is COM of molecules that I defined in index file.
If I select the surfactant molecules as the first group for COM, this means the COM of micelle or just surfactants?
If it select just COM of surfactants, then what do I do for selection of COM of micelle?
Please help me.

Best Regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111127/d6ef4831/attachment.html>

More information about the gromacs.org_gmx-users mailing list