--- branches/development/src/brains/SimSnapshotManager.cpp	2010/07/09 23:08:25	1465
+++ branches/development/src/brains/SimSnapshotManager.cpp	2012/07/03 18:32:27	1764
@@ -36,7 +36,8 @@
  * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
  * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
  * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
- * [4]  Vardeman & Gezelter, in progress (2009).                        
+ * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
+ * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
  */
  
 #include "brains/SimInfo.hpp"
@@ -49,10 +50,11 @@ namespace OpenMD {
 
       int nAtoms = info_->getNAtoms();
       int nRigidBodies = info_->getNRigidBodies();
-    
+      int nCutoffGroups = info_->getNCutoffGroups();
+      
       //allocate memory for snapshots
-      previousSnapshot_ = new Snapshot(nAtoms, nRigidBodies, storageLayout);
-      currentSnapshot_ = new Snapshot(nAtoms, nRigidBodies, storageLayout);
+      previousSnapshot_ = new Snapshot(nAtoms, nRigidBodies, nCutoffGroups, storageLayout);
+      currentSnapshot_ = new Snapshot(nAtoms, nRigidBodies, nCutoffGroups, storageLayout);
     }
 
   SimSnapshotManager::~SimSnapshotManager(){
@@ -65,6 +67,7 @@ namespace OpenMD {
 
     *previousSnapshot_ = *currentSnapshot_;
     currentSnapshot_->setID(currentSnapshot_->getID() + 1);    
+    currentSnapshot_->clearDerivedProperties();
     return true;
   }