--- trunk/OOPSE/libmdtools/SimInfo.hpp	2003/03/24 21:55:34	394
+++ trunk/OOPSE/libmdtools/SimInfo.hpp	2003/04/04 19:47:19	458
@@ -30,6 +30,8 @@ class SimInfo{ (public)
   unsigned int n_bends;    // number of bends
   unsigned int n_torsions; // number of torsions
   unsigned int n_oriented; // number of of atoms with orientation
+  unsigned int ndf;        // number of actual degrees of freedom
+  unsigned int ndfRaw;     // number of settable degrees of freedom
 
   unsigned int setTemp;   // boolean to set the temperature at each sampleTime
 
@@ -39,7 +41,7 @@ class SimInfo{ (public)
   double dielectric;      // the dielectric of the medium for reaction field
 
   int n_exclude;  // the # of pairs excluded from long range forces
-  int *excludes;       // the pairs themselves
+  Exclude** excludes;       // the pairs themselves
 
   int nGlobalExcludes;
   int* globalExcludes; // same as above, but these guys participate in
@@ -50,7 +52,6 @@ class SimInfo{ (public)
   int n_constraints; // the number of constraints on the system
 
   unsigned int n_SRI;   // the number of short range interactions
-  SRI **sr_interactions;// the array of short range force objects
 
   double lrPot; // the potential energy from the long range calculations.
 
@@ -103,6 +104,12 @@ class SimInfo{ (public)
     setFortranBoxSize = fBox;
   }
 
+  int getNDF();
+  int getNDFraw();
+
+  void setBox( double newBox[3] );
+  void getBox( double theBox[3] );
+
 private:
   
   // private function to initialize the fortran side of the simulation