--- trunk/OOPSE/libmdtools/SimInfo.cpp	2003/09/29 21:16:11	790
+++ trunk/OOPSE/libmdtools/SimInfo.cpp	2003/10/30 18:59:20	845
@@ -1,6 +1,6 @@
-#include <cstdlib>
-#include <cstring>
-#include <cmath>
+#include <stdlib.h>
+#include <string.h>
+#include <math.h>
 
 #include <iostream>
 using namespace std;
@@ -515,33 +515,52 @@ void SimInfo::setRcut( double theRcut ){
 
 void SimInfo::setRcut( double theRcut ){
 
-  if( !haveOrigRcut ){
-    haveOrigRcut = 1;
-    origRcut = theRcut;
-  }
-
   rCut = theRcut;
   checkCutOffs();
 }
 
-void SimInfo::setEcr( double theEcr ){
+void SimInfo::setDefaultRcut( double theRcut ){
 
-  if( !haveOrigEcr ){
-    haveOrigEcr = 1;
-    origEcr = theEcr;
-  }
+  haveOrigRcut = 1;
+  origRcut = theRcut;
+  rCut = theRcut;
+
+  ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0;
+
+  notifyFortranCutOffs( &rCut, &rList, &ecr, &est );
+}
 
+void SimInfo::setEcr( double theEcr ){
+
   ecr = theEcr;
   checkCutOffs();
 }
 
+void SimInfo::setDefaultEcr( double theEcr ){
+
+  haveOrigEcr = 1;
+  origEcr = theEcr;
+  
+  ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0;
+
+  ecr = theEcr;
+
+  notifyFortranCutOffs( &rCut, &rList, &ecr, &est );
+}
+
 void SimInfo::setEcr( double theEcr, double theEst ){
 
   est = theEst;
   setEcr( theEcr );
 }
 
+void SimInfo::setDefaultEcr( double theEcr, double theEst ){
 
+  est = theEst;
+  setDefaultEcr( theEcr );
+}
+
+
 void SimInfo::checkCutOffs( void ){
 
   int cutChanged = 0;
@@ -608,7 +627,6 @@ void SimInfo::checkCutOffs( void ){
     ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0;
     
     if( cutChanged ){
-      
       notifyFortranCutOffs( &rCut, &rList, &ecr, &est );
     }