[gmx-users] The sum of the two largest charge group radii (32.555389) is larger than rlist
davtyan.aram at gmail.com
Thu Dec 7 15:37:33 CET 2017
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
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,
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