Hi! I was comparing the dipole moments of a few proteins. The results of the Mtot and the aver files are diametrically opposite to each other. The proteins with the max dipole moments according to the Mtot files, are the ones with the least dipole moments according to the aver files. What is the difference between Mtot and aver? Why am I getting such results?
Thank you in advance! Regards, Raag -- 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.