Hello, I am equilibrating a protein ligand system in a bilayer membrane and I receive this error for my 5th equibiration (4th NPT)
Fatal error: 5 particles communicated to PME rank 0 are more than 2/3 times the cut-off out of the domain decomposition cell of their charge group in dimension x. This usually means that your system is not well equilibrated. I'm a newbie to this and don't completely understand the error. Since it says the previous system is not well equilibrated, should I increase the steps for equilibration? Regards, Stephani -- 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.
