I don't understanding your purpose. I be able to obtain RDF but not able to obtain RDF for the centers of the geometry of molecules and RDF for a system anealing MD.
Jafar Azamat Molecular Simulations Lab. Azerbaijan University -----Original Message----- From: David van der Spoel <sp...@xray.bmc.uu.se> To: Discussion list for GROMACS users <gmx-users@gromacs.org> Date: Sat, 14 Aug 2010 12:10:44 +0200 Subject: Re: [gmx-users] RDF On 2010-08-14 11.55, Jafar Azamat wrote: > Hi all Gromacs users > How can report RDF for the centers of the geometry of molecules? > > try g_rdf -h and read which options you have. com with respect to com of another group is not possible it seems. > Jafar Azamat > Molecular Simulations Lab. > Faculty of Basic Sciences > Azerbaijan University of Tarbiat Moallem. > -- David van der Spoel, Ph.D., Professor of Biology Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. sp...@xray.bmc.uu.se http://folding.bmc.uu.se [http://folding.bmc.uu.se/] -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users [http://lists.gromacs.org/mailman/listinfo/gmx-users] Please search the archive at http://www.gromacs.org/search [http://www.gromacs.org/search] before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php [http://www.gromacs.org/mailing_lists/users.php]
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