Hi, I have a question regarding g_dipoles. Why does g_dipoles give completely different results of the total dipole moment, when I add or omit the energy file? and which is correct? I mean by providing the energy file or not? and how come I use the energy file when I want to calculate the dipole moment to a subset of the system atoms(e.g as protein out of the total system). since the energy file include the total energy of the system, not the group under interest i.e the protein. Regards, asmaa -- 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
