--- trunk/OOPSE/libmdtools/SimSetup.cpp	2003/07/15 03:08:00	604
+++ trunk/OOPSE/libmdtools/SimSetup.cpp	2003/07/15 03:27:24	605
@@ -788,6 +788,7 @@ void SimSetup::createSim( void ){
   NPTi* myNPTi = NULL;
   NPTf* myNPTf = NULL;
   NPTim* myNPTim = NULL;
+  NPTfm* myNPTfm = NULL;
 
   switch( ensembleCase ){
 
@@ -915,8 +916,41 @@ void SimSetup::createSim( void ){
       simError();
     }
     break;
+
+  case NPTfm_ENS:
+    myNPTfm = new NPTfm( simnfo, the_ff );
+    myNPTfm->setTargetTemp( the_globals->getTargetTemp());
 
+    if (the_globals->haveTargetPressure())
+      myNPTfm->setTargetPressure(the_globals->getTargetPressure());
+    else {
+      sprintf( painCave.errMsg,
+               "SimSetup error: If you use a constant pressure\n"
+               "    ensemble, you must set targetPressure in the BASS file.\n");
+      painCave.isFatal = 1;
+      simError();
+    }
     
+    if( the_globals->haveTauThermostat() )
+      myNPTfm->setTauThermostat( the_globals->getTauThermostat() );
+    else{
+      sprintf( painCave.errMsg,
+               "SimSetup error: If you use an NPT\n"
+               "    ensemble, you must set tauThermostat.\n");
+      painCave.isFatal = 1;
+      simError();
+    }
+
+    if( the_globals->haveTauBarostat() )
+      myNPTfm->setTauBarostat( the_globals->getTauBarostat() );
+    else{
+      sprintf( painCave.errMsg,
+               "SimSetup error: If you use an NPT\n"
+               "    ensemble, you must set tauBarostat.\n");
+      painCave.isFatal = 1;
+      simError();
+    }
+    break;
 
   default:
     sprintf( painCave.errMsg,