Hi! I had written earlier that I wanted to compare the dipole moments of a few proteins and that the Mtot and Aver files were giving me diametrically opposite results. The proteins with the highest dipole moments according to Mtot were the ones with the lowest dipole moments according to aver and vice-versa. I had asked what the difference was between the two files and why I was getting such results.
David had very kindly replied that I should center the protein and had asked whether my proteins were neutral. I did use genion and -neutral command to neutralise the system. I had also centered the protein. Still I get this result. Looking forward to your kind help! 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.
