Merge 'release-4-6' into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_kernel_c / nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c

diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c
index 1d61f4f663383e04c75228df49ea33e8446b7897..23ba2990df4d02737f0ab28b357671bdefa8fe8d 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c
+++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwLJ_GeomP1P1_c.c
@@ -251,7 +251,7 @@ nb_kernel_ElecGB_VdwLJ_GeomP1P1_VF_c
         kernel_data->energygrp_elec[ggid] += velecsum;
         kernel_data->energygrp_polarization[ggid] += vgbsum;
         kernel_data->energygrp_vdw[ggid] += vvdwsum;
-        dvda[nri]                   = dvda[nri] + dvdasum*isai0*isai0;
+        dvda[inr]                   = dvda[inr] + dvdasum*isai0*isai0;
 
         /* Increment number of inner iterations */
         inneriter                  += j_index_end - j_index_start;
@@ -470,7 +470,7 @@ nb_kernel_ElecGB_VdwLJ_GeomP1P1_F_c
         fshift[i_shift_offset+YY]  += ty;
         fshift[i_shift_offset+ZZ]  += tz;
 
-        dvda[nri]                   = dvda[nri] + dvdasum*isai0*isai0;
+        dvda[inr]                   = dvda[inr] + dvdasum*isai0*isai0;
 
         /* Increment number of inner iterations */
         inneriter                  += j_index_end - j_index_start;