Dear Gromacs Users, I'm simulating an ionic liquid with AMBER 99sb-ildn ff in GROMACS 5.1.4 package. With charges +1 and -1 on the cation and anion respectively, the system is neutral and the minimization is okay. But on scaling the charges by 0.8, the total charge shows to be above 6000, for a system of 2000 particles each of cation and anion. Additionally, there are some errors that say : "atom O1 (Res MOL) has mass 0 (state A) / 0 (state B)"
What could be the issue? Regards, Apramita -- 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.
