[gmx-users] The sum of the two largest charge group radii (X) is larger than rlist

Faezeh Pousaneh fpoosaneh at gmail.com
Fri Dec 15 10:27:13 CET 2017


Hi,

I get this error only in NVT equlibration step, not in the NPT and
production steps. Should I worry about it?

In gromacs page it tell the error can come from 4 reasons, but how I can
recognize which can be mine?

http://www.gromacs.org/Documentation/Errors?highlight=documentation#The_sum_of_the_two_largest_charge_group_radii_(X)_is_larger_than.c2.a0rlist_-_rvdw.2frcoulomb

Best regards


More information about the gromacs.org_gmx-users mailing list