first run make_ndx to make an index file of water O atom. Next run g_rdf with -com option. this will give you the R.D.F of com of c60 and water O atom.
On Mon, Dec 30, 2013 at 10:43 PM, Pratiti Bhadra <pratiti.bha...@gmail.com>wrote: > On Dec 29, 2013 8:51 PM, "mali" <18crow...@gmail.com> wrote: > > > Hi friends > > > > Have performed simulation of fullerene and water molecules and calculated > > free energy of solvation. Now want to calculate the radial distribution > > function of fullerene COM and O of water molecules. > > Could you please help how to perform it. > > Thanks in advance > > > > Mali > > > > -- > > View this message in context: > > > http://gromacs.5086.x6.nabble.com/radial-distribution-function-of-fullerene-COM-and-O-of-water-tp5013563.html > > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > > -- > > Gromacs Users mailing list > > > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > posting! > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > * For (un)subscribe requests visit > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > > send a mail to gmx-users-requ...@gromacs.org. > > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Abhijit kayal Research Scholar Theoretical Chemistry IIT Kanpur -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.