Hello, On 27.04.2010, at 23:31, Nilesh Dhumal wrote:
> Hello, > I am trying to plot radial distribution function between a atom and a > center of two atoms. > How can I calculate the centre of two atoms and further how can I use this > center to plot radial distribution funciton? > you will have to use an index file including the group containing the atom and a group containing the other two atoms. Then take a look at the help of g_rdf (g_rdf -h). There are several flags which determine the reference points used to calculate the RDF in your case it should be -rdf mol_cog. /Flo > THanks > > Nilesh > > > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at 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 -- Florian Dommert Dipl.-Phys. Institute for Computational Physics University Stuttgart Pfaffenwaldring 27 70569 Stuttgart Phone: +49(0)711/685-6-3613 Fax: +49-(0)711/685-6-3658 EMail: domm...@icp.uni-stuttgart.de Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert
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