Merge release-5-0 into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_generic.c

diff --git a/src/gromacs/gmxlib/nonbonded/nb_generic.c b/src/gromacs/gmxlib/nonbonded/nb_generic.c
index 8ea9d42ffc28823ad189858ec08ddade60996c5c..951b8d4b610925648544dbda10c3352760f8e5a6 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_generic.c
+++ b/src/gromacs/gmxlib/nonbonded/nb_generic.c
@@ -418,7 +418,7 @@ gmx_nb_generic_kernel(t_nblist *                nlist,
                         fvdw             = (vvdw_rep - vvdw_disp - c6grid*(1.0/6.0)*exponent*ewclj6)*rinvsq;
                         if (fr->vdw_modifier == eintmodPOTSHIFT)
                         {
-                            vvdw             = (vvdw_rep + c12*sh_repulsion)/12.0 - (vvdw_disp + c6*sh_dispersion + c6grid*sh_lj_ewald)/6.0;
+                            vvdw             = (vvdw_rep + c12*sh_repulsion)/12.0 - (vvdw_disp + c6*sh_dispersion - c6grid*sh_lj_ewald)/6.0;
                         }
                         else
                         {