--- trunk/OOPSE/libmdtools/SimSetup.cpp	2004/02/06 18:58:06	1031
+++ trunk/OOPSE/libmdtools/SimSetup.cpp	2004/02/09 14:48:57	1041
@@ -28,7 +28,7 @@
 #define FF_DUFF  0
 #define FF_LJ    1
 #define FF_EAM   2
-#define FF_H2O 3
+#define FF_H2O   3
 
 using namespace std;
 
@@ -1712,7 +1712,7 @@ void SimSetup::makeMinimizer(){
 }
 
 void SimSetup::makeMinimizer(){
-/*  
+
   OOPSEMinimizerBase* myOOPSEMinimizerBase;
   ObjFunctor1 * objFunc;
   OutputFunctor* outputFunc;
@@ -1725,6 +1725,7 @@ void SimSetup::makeMinimizer(){
     //creat
     myOOPSEMinimizerBase = new OOPSEMinimizerBase(&(info[i]), the_ff);
 
+     info[i].the_integrator = myOOPSEMinimizerBase;
     //creat the object functor;
     objFunc = (ObjFunctor1*) new ClassMemObjFunctor1<OOPSEMinimizerBase>
                                               (myOOPSEMinimizerBase, &OOPSEMinimizerBase::calcGradient);
@@ -1737,6 +1738,8 @@ void SimSetup::makeMinimizer(){
     dim = myOOPSEMinimizerBase->getDim();    
     nlp = new ConcreteNLModel1(dim, objFunc);
 
+    nlp->setX(myOOPSEMinimizerBase->getCoor());
+
     //prepare parameter set for minimizer
     param = new MinimizerParameterSet();
     param->setDefaultParameter();
@@ -1782,5 +1785,5 @@ void SimSetup::makeMinimizer(){
      info[i].the_minimizer = minimizer;
      info[i].has_minimizer = true;
   }
-*/
+
 }