Fixed a bug in egbOBC and double precission.

Change-Id: I016342ebe0f7758ffe0373f906e7095d2c9a1a06

diff --git a/src/mdlib/genborn_sse2_double.c b/src/mdlib/genborn_sse2_double.c
index 1fd1d88cd693a0e496309dd4906f3eccfa479418..5dbbbe6dadd03d5d5735404f7a6d79580fb696d6 100644 (file)
--- a/src/mdlib/genborn_sse2_double.c
+++ b/src/mdlib/genborn_sse2_double.c
@@ -817,7 +817,7 @@ calc_gb_chainrule_sse2_double(int natoms, t_nblist *nl, double *dadx, double *dv
        {
                for(i=n0;i<n1;i++)
                {
-      rbi   = born->bRad[k];
+      rbi   = born->bRad[i];
                        rb[i] = rbi * rbi * born->drobc[i] * dvda[i];
                }
        }