--- trunk/src/brains/SimInfo.cpp	2005/01/25 21:59:18	274
+++ trunk/src/brains/SimInfo.cpp	2005/02/13 20:05:42	326
@@ -56,6 +56,7 @@
 #include "UseTheForce/notifyCutoffs_interface.h"
 #include "utils/MemoryUtils.hpp"
 #include "utils/simError.h"
+#include "selection/SelectionManager.hpp"
 
 #ifdef IS_MPI
 #include "UseTheForce/mpiComponentPlan.h"
@@ -72,7 +73,7 @@ SimInfo::SimInfo(std::vector<std::pair<MoleculeStamp*,
                                 nGlobalIntegrableObjects_(0), nGlobalRigidBodies_(0),
                                 nAtoms_(0), nBonds_(0),  nBends_(0), nTorsions_(0), nRigidBodies_(0),
                                 nIntegrableObjects_(0),  nCutoffGroups_(0), nConstraints_(0),
-                                sman_(NULL), fortranInitialized_(false) {
+                                sman_(NULL), fortranInitialized_(false), selectMan_(NULL) {
 
             
     std::vector<std::pair<MoleculeStamp*, int> >::iterator i;
@@ -137,7 +138,9 @@ SimInfo::SimInfo(std::vector<std::pair<MoleculeStamp*,
 #ifdef IS_MPI    
     molToProcMap_.resize(nGlobalMols_);
 #endif
-    
+
+    selectMan_ = new SelectionManager(this);
+    selectMan_->selectAll();
 }
 
 SimInfo::~SimInfo() {
@@ -148,7 +151,7 @@ SimInfo::~SimInfo() {
     delete sman_;
     delete simParams_;
     delete forceField_;
-
+    delete selectMan_;
 }
 
 int SimInfo::getNGlobalConstraints() {
@@ -751,9 +754,7 @@ double SimInfo::calcMaxCutoffRadius() {
     return maxCutoffRadius;
 }
 
-void SimInfo::setupCutoff() {
-    double rcut_;  //cutoff radius
-    double rsw_; //switching radius
+void SimInfo::getCutoff(double& rcut, double& rsw) {
     
     if (fInfo_.SIM_uses_Charges | fInfo_.SIM_uses_Dipoles | fInfo_.SIM_uses_RF) {
         
@@ -799,7 +800,10 @@ void SimInfo::setupCutoff() {
         }
     
     }
-        
+}
+
+void SimInfo::setupCutoff() {
+    getCutoff(rcut_, rsw_);    
     double rnblist = rcut_ + 1; // skin of neighbor list
 
     //Pass these cutoff radius etc. to fortran. This function should be called once and only once