From 0b86f845888b66b8df9e9a39e2eeb653125eb3cd Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 13 Feb 2015 21:01:20 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13111 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_langevin.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp index 748ac957db..5a0103a8a8 100644 --- a/src/fix_langevin.cpp +++ b/src/fix_langevin.cpp @@ -681,7 +681,7 @@ void FixLangevin::omega_thermostat() double inertiaone; for (int i = 0; i < nlocal; i++) { - if (mask[i] & groupbit) { + if ((mask[i] & groupbit) && (radius[i] > 0.0)) { inertiaone = SINERTIA*radius[i]*radius[i]*rmass[i]; if (tstyle == ATOM) tsqrt = sqrt(tforce[i]); gamma1 = -tendivthree*inertiaone / t_period / ftm2v;