Hello, I am trying to switch my simulations from using Verlet cutoff scheme to Group. To do this I replace "cutoff-scheme = Verlet" with "cutoff-scheme = Group" and "rlist = 1.2" with "rlist = 1.4". As a result GROMACS gives me the following warning when I try to generate the tpr file with grompp, that halts the execution.
WARNING 1 [file md_energygrp-table_group.mdp]: The sum of the two largest charge group radii (32.555389) is larger than rlist (1.400000) Does anyone know what this means and how to deal with it? I am running a protein system with water and ions. Thank you in advance, Aram -- 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.
