it is interesting for me that I specified Verlet, but the log warns about group.
mahmood@cluster:LPN$ grep -r cut-off . ./mdout.mdp:; cut-off scheme (group: using charge groups, Verlet: particle based cut-offs) ./mdout.mdp:; nblist cut-off ./mdout.mdp:; long-range cut-off for switched potentials ./mdout.mdp:; cut-off lengths ./mdout.mdp:; Extension of the potential lookup tables beyond the cut-off mahmood@cluster:LPN$ grep -r Verlet . ./mdout.mdp:; cut-off scheme (group: using charge groups, Verlet: particle based cut-offs) ./mdout.mdp:cutoff-scheme = Verlet ./mdout.mdp:; Allowed energy drift due to the Verlet buffer in kJ/mol/ps per atom, ./mdout.mdp:coulomb-modifier = Potential-shift-Verlet ./mdout.mdp:vdw-modifier = Potential-shift-Verlet Regards, Mahmood -- 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.
