--- trunk/src/restraints/RestraintForceManager.cpp	2009/11/25 20:02:06	1390
+++ trunk/src/restraints/RestraintForceManager.cpp	2010/07/09 19:29:05	1464
@@ -89,6 +89,8 @@ namespace OpenMD {
     int nRestraintStamps = simParam->getNRestraintStamps();
     std::vector<RestraintStamp*> stamp = simParam->getRestraintStamps();
 
+    std::vector<int> stuntDoubleIndex;
+
     for (int i = 0; i < nRestraintStamps; i++){
 
       std::string myType = toUpperCopy(stamp[i]->getType());
@@ -134,6 +136,7 @@ namespace OpenMD {
          
           int myrank = MPI::COMM_WORLD.Get_rank();
           if (info_->getMolToProc(molIndex) == myrank) {
+         
             // If we were supposed to have it but got a null, then freak out.
 #endif
 
@@ -149,6 +152,15 @@ namespace OpenMD {
 #endif
         }
         
+
+#ifdef IS_MPI
+        // only handle this molecular restraint if this processor owns the
+        // molecule
+        int myrank = MPI::COMM_WORLD.Get_rank();
+        if (info_->getMolToProc(molIndex) == myrank) {
+
+#endif
+
         MolecularRestraint* rest = new MolecularRestraint();
 
         std::string restPre("mol_");
@@ -184,7 +196,9 @@ namespace OpenMD {
         restraints_.push_back(rest);
         mol->addProperty(new RestraintData("Restraint", rest));
         restrainedMols_.push_back(mol);
-        
+#ifdef IS_MPI
+        }
+#endif        
       } else if (myType.compare("OBJECT") == 0) {
         
         std::string objectSelection;
@@ -220,7 +234,8 @@ namespace OpenMD {
 
         for (sd = seleMan.beginSelected(selei); sd != NULL; 
              sd = seleMan.nextSelected(selei)) {
-          
+          stuntDoubleIndex.push_back(sd->getGlobalIntegrableObjectIndex());
+
           ObjectRestraint* rest = new ObjectRestraint();
           
           if (stamp[i]->haveDisplacementSpringConstant()) {
@@ -260,16 +275,14 @@ namespace OpenMD {
     // are times when it won't use restraints at all, so only open the
     // restraint file if we are actually using restraints:
 
-    if (simParam->getUseRestraints()) {
+    if (simParam->getUseRestraints()) { 
       std::string refFile = simParam->getRestraint_file();
-      RestReader* rr = new RestReader(info, refFile);
-
+      RestReader* rr = new RestReader(info, refFile, stuntDoubleIndex);
       rr->readReferenceStructure();
     }
 
     restOutput_ = getPrefix(info_->getFinalConfigFileName()) + ".rest";
     restOut = new RestWriter(info_, restOutput_.c_str(), restraints_);
-    
     if(!restOut){
       sprintf(painCave.errMsg, "Restraint error: Failed to create RestWriter\n");
       painCave.isFatal = 1;
@@ -292,9 +305,9 @@ namespace OpenMD {
     currRestTime_ = currSnapshot_->getTime();
   }
 
-  void RestraintForceManager::calcForces(bool needPotential, bool needStress){
+  void RestraintForceManager::calcForces(){
 
-    ForceManager::calcForces(needPotential, needStress);    
+    ForceManager::calcForces();    
     RealType restPot_local, restPot;
 
     restPot_local = doRestraints(1.0);
@@ -374,7 +387,7 @@ namespace OpenMD {
       std::vector<Vector3d> forces;
       
       for(sd = (*rm)->beginIntegrableObject(ioi); sd != NULL; 
-          sd = (*rm)->nextIntegrableObject(ioi)) {        
+          sd = (*rm)->nextIntegrableObject(ioi)) {
         struc.push_back(sd->getPos());
       }