--- trunk/OOPSE/libmdtools/SimSetup.cpp	2004/02/24 15:44:45	1064
+++ trunk/OOPSE/libmdtools/SimSetup.cpp	2004/03/17 14:22:59	1093
@@ -1663,7 +1663,34 @@ void SimSetup::setupZConstraint(SimInfo& theInfo){
   }
 
   theInfo.addProperty(zconsForcePolicy);
+
+  //set zcons gap
+  DoubleData* zconsGap = new DoubleData();
+  zconsGap->setID(ZCONSGAP_ID);
+
+  if (globals->haveZConsGap()){
+    zconsGap->setData(globals->getZconsGap());
+    theInfo.addProperty(zconsGap);  
+  }
+
+  //set zcons fixtime
+  DoubleData* zconsFixtime = new DoubleData();
+  zconsFixtime->setID(ZCONSFIXTIME_ID);
+
+  if (globals->haveZConsFixTime()){
+    zconsFixtime->setData(globals->getZconsFixtime());
+    theInfo.addProperty(zconsFixtime);  
+  }
+
+  //set zconsUsingSMD
+  IntData* zconsUsingSMD = new IntData();
+  zconsUsingSMD->setID(ZCONSUSINGSMD_ID);
 
+  if (globals->haveZConsUsingSMD()){
+    zconsUsingSMD->setData(globals->getZconsUsingSMD());
+    theInfo.addProperty(zconsUsingSMD);  
+  }
+
   //Determine the name of ouput file and add it into SimInfo's property list 
   //Be careful, do not use inFileName, since it is a pointer which
   //point to a string at master node, and slave nodes do not contain that string
@@ -1693,7 +1720,8 @@ void SimSetup::setupZConstraint(SimInfo& theInfo){
     tempParaItem.zPos = zconStamp[i]->getZpos();
     tempParaItem.zconsIndex = zconStamp[i]->getMolIndex();
     tempParaItem.kRatio = zconStamp[i]->getKratio();
-
+    tempParaItem.havingCantVel = zconStamp[i]->haveCantVel();
+    tempParaItem.cantVel = zconStamp[i]->getCantVel();    
     zconsParaData->addItem(tempParaItem);
   }
 
@@ -1756,7 +1784,7 @@ void SimSetup::makeMinimizer(){
       param->setLineSearchTol(globals->getMinLSTol());
     }     
 
-    strcpy(ensemble, globals->getMinimizer());
+    strcpy(minimizerName, globals->getMinimizer());
 
     if (!strcasecmp(minimizerName, "CG")){
       myOOPSEMinimizer = new PRCGMinimizer(&(info[i]), the_ff, param);
@@ -1766,8 +1794,14 @@ void SimSetup::makeMinimizer(){
       myOOPSEMinimizer = new SDMinimizer(&(info[i]), the_ff, param);
     }
     else{
-     info[i].the_integrator = myOOPSEMinimizer;
+          sprintf(painCave.errMsg,
+                  "SimSetup error: Unrecognized Minimizer, use Conjugate Gradient \n");
+          painCave.isFatal = 0;
+          simError();
+
+      myOOPSEMinimizer = new PRCGMinimizer(&(info[i]), the_ff, param);          
     }
+     info[i].the_integrator = myOOPSEMinimizer;
 
      //store the minimizer into simInfo
      info[i].the_minimizer = myOOPSEMinimizer;