Dear all,
i would like to know if it is possible to get the rdf between the center
of mass of a molecule and individual atoms of said molecule?
In my case i have mesitylene and i would like to calculate the RDF
between the COM and the Methyl-carbon-atoms.
My problem is that i would need the options '-rdf mol_com' and '-rdf
atom' at the same time. The only idea i have is to use '-yescom' and
make the analysis for each molecule individually and then average
overall the resulting RDFs.
But probably there is an easier solution?
greetings
thomas
--
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
