Merge 'release-4-6' into master

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_kernel_c / nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c

diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c
index 0ef6e30584ec01a0a5edcf1e4469799de3688892..40fc35d61ca79a8093590b01a027dc5bcc08b7d3 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c
+++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_ElecGB_VdwNone_GeomP1P1_c.c
@@ -227,7 +227,7 @@ nb_kernel_ElecGB_VdwNone_GeomP1P1_VF_c
         /* Update potential energies */
         kernel_data->energygrp_elec[ggid] += velecsum;
         kernel_data->energygrp_polarization[ggid] += vgbsum;
-        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;
@@ -428,7 +428,7 @@ nb_kernel_ElecGB_VdwNone_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;