From 974ca5ee3b7cba14cf8a643803fda3ad09a83292 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 15 May 2008 20:51:14 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1806 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/pair_lj_gromacs_coul_gromacs.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/pair_lj_gromacs_coul_gromacs.cpp b/src/pair_lj_gromacs_coul_gromacs.cpp index 83c3252633..d49895a133 100644 --- a/src/pair_lj_gromacs_coul_gromacs.cpp +++ b/src/pair_lj_gromacs_coul_gromacs.cpp @@ -447,7 +447,7 @@ double PairLJGromacsCoulGromacs::single(int i, int j, int itype, int jtype, r = sqrt(rsq); tc = r - cut_coul_inner; fswitchcoul = force->qqrd2e * - atom->q[i]*atom->q[j] * r*tc*tc * (coulsw1 + coulsw2*tcoul); + atom->q[i]*atom->q[j] * r*tc*tc * (coulsw1 + coulsw2*tc); forcecoul += fswitchcoul; } } else forcecoul = 0.0;