From 54b857d9304a9f44e936e80d6ddca782c06135a3 Mon Sep 17 00:00:00 2001
From: Berk Hess <hess@kth.se>
Date: Wed, 2 Oct 2013 14:27:07 +0200
Subject: [PATCH] fixed a half bin misalignment in gmx_vanhove -or

Change-Id: Ia800861912d50f5047742bcb1bb51e753920968f
---
 src/tools/gmx_vanhove.c | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tools/gmx_vanhove.c b/src/tools/gmx_vanhove.c
index bae747831c..aea369f3f2 100644
--- a/src/tools/gmx_vanhove.c
+++ b/src/tools/gmx_vanhove.c
@@ -364,7 +364,7 @@ int gmx_vanhove(int argc, char *argv[])
                     for (i = 0; i < isize; i++)
                     {
                         d2  = distance2(sx[f][i], sx[ff][i]);
-                        bin = (int)(sqrt(d2)*invbin);
+                        bin = (int)(sqrt(d2)*invbin + 0.5);
                         if (bin >= nalloc)
                         {
                             nallocn = 10*(bin/10) + 11;
-- 
2.22.0