From 89e975ebfc498ec0d9b2ed8497f4f60321e861b3 Mon Sep 17 00:00:00 2001
From: Carlo Camilloni <carlo.camilloni@gmail.com>
Date: Thu, 18 Sep 2014 13:52:13 +0200
Subject: [PATCH] RDC: small change in svd
---
src/colvar/RDC.cpp | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/src/colvar/RDC.cpp b/src/colvar/RDC.cpp
index f0cafa6f7..c15039dba 100644
--- a/src/colvar/RDC.cpp
+++ b/src/colvar/RDC.cpp
@@ -298,7 +298,7 @@ void RDC::calculate()
double d2 = d*d;
double d3 = d2*d;
double id3 = 1./d3;
- double max = -Const*mu_s[index];
+ double max = -Const*mu_s[index]*scale[index];
dmax[index] = id3*max;
double mu_x = distance[0]/d;
double mu_y = distance[1]/d;
--
GitLab