From: Rossen Apostolov <rossen@kth.se>
Date: Mon, 19 Sep 2011 10:16:21 +0000 (+0200)
Subject: Fixed a bug in egbOBC and double precission.
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=84eca883b4fbaee9cb661ee456b349bc4ae8fd32;p=alexxy%2Fgromacs.git

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 1fd1d88cd6..5dbbbe6dad 100644
--- 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];
 		}
 	}