--- trunk/src/constraints/Rattle.cpp	2014/04/14 18:32:51	1981
+++ trunk/src/constraints/Rattle.cpp	2014/09/26 22:22:28	2022
@@ -45,21 +45,26 @@ namespace OpenMD {
 #include "utils/simError.h"
 namespace OpenMD {
 
-  Rattle::Rattle(SimInfo* info) : info_(info), maxConsIteration_(10), consTolerance_(1.0e-6), doRattle_(false) {
+  Rattle::Rattle(SimInfo* info) : info_(info), maxConsIteration_(10), 
+                                  consTolerance_(1.0e-6), doRattle_(false), 
+                                  currConstraintTime_(0.0) {
     
-    if (info_->getNConstraints() > 0)
+    if (info_->getNGlobalConstraints() > 0)
       doRattle_ = true;
     
+    if (!doRattle_) return;
+
     Globals* simParams = info_->getSimParams();
 
     if (simParams->haveDt()) {
       dt_ = simParams->getDt();
     } else {
       sprintf(painCave.errMsg,
-	      "Integrator Error: dt is not set\n");
+	      "Rattle Error: dt is not set\n");
       painCave.isFatal = 1;
       simError();
     }    
+
     currentSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot();
     if (simParams->haveConstraintTime()){
       constraintTime_ = simParams->getConstraintTime();
@@ -67,10 +72,13 @@ namespace OpenMD {
       constraintTime_ = simParams->getStatusTime();
     }
 
-    constraintOutputFile_ = getPrefix(info_->getFinalConfigFileName()) + ".constraintForces";
+    constraintOutputFile_ = getPrefix(info_->getFinalConfigFileName()) + 
+      ".constraintForces";
 
+
     // create ConstraintWriter  
-    constraintWriter_ = new ConstraintWriter(info_, constraintOutputFile_.c_str());   
+    constraintWriter_ = new ConstraintWriter(info_, 
+                                             constraintOutputFile_.c_str());
 
     if (!constraintWriter_){
       sprintf(painCave.errMsg, "Failed to create ConstraintWriter\n");
@@ -101,7 +109,6 @@ namespace OpenMD {
           constraints.push_back(consPair);
         }
       }
-      
       constraintWriter_->writeConstraintForces(constraints);
       currConstraintTime_ += constraintTime_;
     }
@@ -216,13 +223,14 @@ namespace OpenMD {
     RealType rabsq = consPair->getConsDistSquare();
     RealType diffsq = rabsq - pabsq;
 
+
     // the original rattle code from alan tidesley
     if (fabs(diffsq) > (consTolerance_ * rabsq * 2)){
     
       Vector3d oldPosA = consElem1->getPrevPos();
       Vector3d oldPosB = consElem2->getPrevPos();      
 
-      Vector3d rab = oldPosA - oldPosB;    
+      Vector3d rab = oldPosA - oldPosB;          
 
       currentSnapshot_->wrapVector(rab);