--- trunk/OOPSE/libmdtools/NPTi.cpp	2003/07/09 02:15:29	578
+++ trunk/OOPSE/libmdtools/NPTi.cpp	2003/07/09 22:14:06	586
@@ -43,6 +43,7 @@ void NPTi::moveA() {
   double tt2, tb2;
   double angle;
 
+
   tt2 = tauThermostat * tauThermostat;
   tb2 = tauBarostat * tauBarostat;
 
@@ -50,10 +51,11 @@ void NPTi::moveA() {
   instaPress = tStats->getPressure();
   instaVol = tStats->getVolume();
    
-  // first evolve chi a half step
+   // first evolve chi a half step
   
   chi += dt2 * ( instaTemp / targetTemp - 1.0) / tt2;
-  eta += dt2 * ( instaVol * (instaPress - targetPressure) / (NkBT*tb2));
+  eta += dt2 * ( instaVol * (instaPress - targetPressure) / 
+		 (p_convert*NkBT*tb2));
 
   for( i=0; i<nAtoms; i++ ){
     atomIndex = i * 3;
@@ -129,6 +131,9 @@ void NPTi::moveA() {
   }
   // Scale the box after all the positions have been moved:
 
+  cerr << "eta = " << eta 
+       << "; exp(dt*eta) = " << exp(eta*dt) << "\n";
+
   info->scaleBox(exp(dt*eta));
 
 }
@@ -150,7 +155,8 @@ void NPTi::moveB( void ){
   instaVol = tStats->getVolume();
 
   chi += dt2 * ( instaTemp / targetTemp - 1.0) / tt2;
-  eta += dt2 * ( instaVol * (instaPress - targetPressure) / (NkBT*tb2));
+  eta += dt2 * ( instaVol * (instaPress - targetPressure) / 
+		 (p_convert*NkBT*tb2));
   
   for( i=0; i<nAtoms; i++ ){
     atomIndex = i * 3;