--- trunk/OOPSE/src/oopse.cpp	2003/04/03 20:21:54	447
+++ trunk/OOPSE/src/oopse.cpp	2004/05/12 19:44:54	1169
@@ -6,6 +6,10 @@
 #include <cstring>
 #include <mpi.h>
 
+#ifdef PROFILE
+#include "mdProfile.hpp"
+#endif // PROFILE
+
 #include "simError.h"
 #include "SimSetup.hpp"
 #include "SimInfo.hpp"
@@ -13,25 +17,27 @@
 #include "Integrator.hpp"
 #include "Thermo.hpp"
 #include "ReadWrite.hpp"
+#include "OOPSEMinimizer.hpp"
 
 char* program_name;
 using namespace std;
 
 int main(int argc,char* argv[]){
   
-  int i;
-  unsigned int n_atoms, eo, xo;
   char* in_name;
   SimSetup* startMe;
   SimInfo* entry_plug;
- 
-  
+   
   // first things first, all of the initializations
 
   MPI_Init( &argc, &argv ); // the MPI communicators
+   
   initSimError();           // the error handler
   srand48( 1337 );          // the random number generator.
 
+#ifdef PROFILE
+  initProfile();
+#endif //profile
   
   // check command line arguments, and set the input file
   
@@ -49,21 +55,31 @@ int main(int argc,char* argv[]){
 
   strcpy( checkPointMsg, "Successful number of arguments" );
   MPIcheckPoint();
-  
-  
+    
   // create the simulation objects, and get the show on the road
     
   entry_plug = new SimInfo;
   startMe = new SimSetup;
   
   startMe->setSimInfo( entry_plug );
+
+
   startMe->parseFile( in_name );
+
+
   startMe->createSim();
 
   delete startMe;
+
+  if (!entry_plug->has_minimizer)
+    entry_plug->the_integrator->integrate();
+  else
+    entry_plug->the_minimizer->minimize();
   
-  entry_plug->the_integrator->integrate();
-  
+#ifdef PROFILE
+  writeProfiles();
+#endif //profile
+
   strcpy( checkPointMsg, "Oh what a lovely Tea Party!" );
   MPIcheckPoint();