--- trunk/src/applications/hydrodynamics/HydrodynamicsModel.cpp	2006/03/15 21:28:49	901
+++ trunk/src/applications/hydrodynamics/HydrodynamicsModel.cpp	2006/03/16 22:50:48	904
@@ -215,26 +215,26 @@ void HydrodynamicsModel::calcDiffusionTensor() {
     Ddrr = Dorr;
     Ddtr = Dotr + Dorr * Uod;
 
-    props_.diffCenter = rod;
-    props_.Ddtt = Ddtt;
-    props_.Ddtr = Ddtr;
-    props_.Ddrr = Ddrr;
-
     SquareMatrix<double, 6> Dd;
     Dd.setSubMatrix(0, 0, Ddtt);
     Dd.setSubMatrix(0, 3, Ddtr.transpose());
     Dd.setSubMatrix(3, 0, Ddtr);
     Dd.setSubMatrix(3, 3, Ddrr);    
     SquareMatrix<double, 6> Xid;
-    invertMatrix(Dd, Xid);
-
     Ddtt *= kt;
     Ddtr *=kt;
     Ddrr *= kt;
+    invertMatrix(Dd, Xid);
+
+
 
     //Xidtt in units of kcal*fs*mol^-1*Ang^-2
-    Xid *= OOPSEConstant::kb*temperature_/kt;
-
+    //Xid /= OOPSEConstant::energyConvert;
+    Xid *= OOPSEConstant::kb * temperature_;
+    props_.diffCenter = rod;
+    props_.Ddtt = Ddtt;
+    props_.Ddtr = Ddtr;
+    props_.Ddrr = Ddrr;
     Xid.getSubMatrix(0, 0, props_.Xidtt);
     Xid.getSubMatrix(0, 3, props_.Xidrt);
     Xid.getSubMatrix(3, 0, props_.Xidtr);