Hi, I have a system containing similar charged atoms. So the total charge is not zero.
Simulation results with cut-off coulomb seems reasonable, but using PME they are wrong (total columb potential is negative value which must be positive). Any idea why? If I use counter-ions to neutralize the system, I am afraid the properties I am looking for (viscosity) will be influenced. Best regards -- 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.
