--- trunk/OOPSE/libmdtools/SimInfo.cpp	2003/08/11 18:29:46	674
+++ trunk/OOPSE/libmdtools/SimInfo.cpp	2003/09/15 16:52:02	763
@@ -26,6 +26,7 @@ SimInfo::SimInfo(){
 SimInfo::SimInfo(){
   excludes = NULL;
   n_constraints = 0;
+  nZconstraints = 0;
   n_oriented = 0;
   n_dipoles = 0;
   ndf = 0;
@@ -36,7 +37,9 @@ SimInfo::SimInfo(){
   thermalTime = 0.0;
   currentTime = 0.0;
   rCut = 0.0;
+  origRcut = -1.0;
   ecr = 0.0;
+  origEcr = -1.0;
   est = 0.0;
   oldEcr = 0.0;
   oldRcut = 0.0;
@@ -596,4 +599,9 @@ vector<GenericData*> SimInfo::getProperties(){
   return result;
 }
 
+double SimInfo::matTrace3(double m[3][3]){
+  double trace;
+  trace = m[0][0] + m[1][1] + m[2][2];
 
+  return trace;
+}