I want to see the change in dipole moment alond the simulation.
NIlesh On Wed, May 25, 2011 11:32 am, David van der Spoel wrote: > On 2011-05-25 17.14, Nilesh Dhumal wrote: > >> Hello, >> >> >> Can I calculate a dipole moment of a particular bond? >> > It is easier to do it manually. Otherwise g_dipoles with a suitable > index file would do it. The sum of charges has to be zero of course. >> >> I am using gromacs version 4.0.7. >> >> >> Thanks >> >> >> Nilesh >> >> >> >> > > > -- > 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 -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists > > > -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists