From 44d00fd90175694cf38ef63401b4013c9bc781ae Mon Sep 17 00:00:00 2001
From: Carsten Kutzner <ckutzne@gwdg.de>
Date: Thu, 4 Nov 2010 10:28:38 +0100
Subject: [PATCH] Updated normalization factor

---
 src/mdlib/pull_rotation.c | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/src/mdlib/pull_rotation.c b/src/mdlib/pull_rotation.c
index 3236ad170d..d2a134f2a4 100644
--- a/src/mdlib/pull_rotation.c
+++ b/src/mdlib/pull_rotation.c
@@ -420,7 +420,8 @@ static inline real gaussian_weight(rvec curr_x, t_rotgrp *rotg, int n)
 {
     /* norm is chosen such that the sum of the gaussians
      * over the slabs is approximately 1.0 everywhere */
-    const real norm = 0.5698457353514458216;  /* = 1/1.7548609 */
+    /* a previously used value was norm = 0.5698457353514458216 = 1/1.7548609 */
+    const real norm = 0.569917543430618;      /* = 1/1.7546397922417 */
     real       sigma;
 
     
-- 
2.22.0