--- trunk/OOPSE/libmdtools/SimSetup.hpp	2003/07/31 19:59:34	660
+++ trunk/OOPSE/libmdtools/SimSetup.hpp	2003/10/27 22:07:48	823
@@ -19,6 +19,7 @@ class SimSetup{ (public)
 
   void setSimInfo( SimInfo* the_info ) { info = the_info; }
   void setSimInfo( SimInfo* the_info, int theNinfo );
+  void suspendInit( void ) { initSuspend = true; }  
   void parseFile( char* fileName );
   void createSim( void );
 
@@ -65,6 +66,8 @@ class SimSetup{ (public)
   SimInfo* info;
   int isInfoArray;
   int nInfo;
+  
+  bool initSuspend;
 
   int n_components;
   int globalAtomIndex;
@@ -82,10 +85,6 @@ class SimSetup{ (public)
   int tot_torsions;
   int tot_SRI;
 
-  Atom** the_atoms;
-  SRI** the_sris;
-  Exclude** the_excludes;
-  Molecule* the_molecules;
   ForceFields* the_ff;
 
   // needed by makeElement
@@ -99,7 +98,7 @@ class SimSetup{ (public)
   int* globalIndex;
 #endif //is_mpi
 
-  void setupZConstraint(void);
+  void setupZConstraint(SimInfo& theInfo);  //setup parameters for zconstraint method
 
 };
 #endif