From 5593d42f32f390cb742574535245cb542704d3db Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Tue, 3 Jun 2014 13:19:06 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12063
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 lib/colvars/colvaratoms.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/lib/colvars/colvaratoms.cpp b/lib/colvars/colvaratoms.cpp
index 421d67b08c..11b5b8e14c 100644
--- a/lib/colvars/colvaratoms.cpp
+++ b/lib/colvars/colvaratoms.cpp
@@ -343,6 +343,10 @@ void cvm::atom_group::parse (std::string const &conf,
       }
       cvm::log ("Within atom group \""+std::string (key)+"\":\n");
       ref_pos_group = new atom_group (group_conf, "refPositionsGroup");
+
+      // regardless of the configuration, fit gradients must be calculated by refPositionsGroup
+      ref_pos_group->b_fit_gradients = this->b_fit_gradients;
+      this->b_fit_gradients = false;
     }
 
     atom_group *group_for_fit = ref_pos_group ? ref_pos_group : this;