--- trunk/OOPSE/libmdtools/ForceFields.cpp	2003/03/27 20:36:16	424
+++ trunk/OOPSE/libmdtools/ForceFields.cpp	2003/03/27 21:07:14	428
@@ -2,6 +2,7 @@
 
 #ifdef IS_MPI
 #include <mpi.h>
+#include <mpi++.h>
 #endif // is_mpi
 
 
@@ -20,7 +21,7 @@ void ForceFields::calcRcut( void ){
 
   //calc rCut and rList
 
-  entry_plug->rCut = 2.5 bigSigma;
+  entry_plug->rCut = 2.5 * bigSigma;
   if(entry_plug->rCut > (entry_plug->box_x / 2.0)) 
     entry_plug->rCut = entry_plug->box_x / 2.0;
   if(entry_plug->rCut > (entry_plug->box_y / 2.0)) 
@@ -42,7 +43,6 @@ void ForceFields::doForces( int calcPot, int calcStres
   double* A;
   double* u_l;
 
-
   short int passedCalcPot = (short int)calcPot;
   short int passedCalcStress = (short int)calcStress;
 
@@ -54,7 +54,7 @@ void ForceFields::doForces( int calcPot, int calcStres
   }
 
   for(i=0; i<entry_plug->n_mol; i++ ){
-    entry_plug->molecules[i]->calc_forces();
+    entry_plug->molecules[i].calcForces();
   }
 
   frc = Atom::getFrcArray();