--- trunk/OOPSE/libmdtools/Molecule.cpp	2003/07/15 14:28:54	607
+++ trunk/OOPSE/libmdtools/Molecule.cpp	2003/07/15 15:50:55	610
@@ -121,19 +121,18 @@ void Molecule::moveCOM(double delta[3]){
 }
 
 void Molecule::moveCOM(double delta[3]){
-  double x, y, z;
-  int i;
+  double aPos[3];
+  int i, j;
 
   for(i=0; i<nAtoms; i++) {
     if(myAtoms[i] != NULL ) {
+      
+      myAtoms[i]->getPos( aPos );
+      
+      for (j=0; j< 3; j++) 
+        aPos[j] += delta[j];
 
-      x = myAtoms[i]->getX() + delta[0];
-      y = myAtoms[i]->getY() + delta[1];
-      z = myAtoms[i]->getZ() + delta[2];
-
-      myAtoms[i]->setX(x);
-      myAtoms[i]->setY(y);
-      myAtoms[i]->setZ(z);
+      myAtoms[i]->setPos( aPos );
     }
   }
 }
@@ -141,11 +140,12 @@ void Molecule::getCOM( double COM[3] ) {
 void Molecule::getCOM( double COM[3] ) {
 
   double mass, mtot;
-  int i;
+  double aPos[3];
+  int i, j;
 
-  COM[0] = 0.0;
-  COM[1] = 0.0;
-  COM[2] = 0.0;
+  for (j=0; j<3; j++) 
+    COM[j] = 0.0;
+
   mtot   = 0.0;
 
   for (i=0; i < nAtoms; i++) {
@@ -153,17 +153,17 @@ void Molecule::getCOM( double COM[3] ) {
 
       mass = myAtoms[i]->getMass();
       mtot   += mass;
-      COM[0] += myAtoms[i]->getX() * mass;
-      COM[1] += myAtoms[i]->getY() * mass;
-      COM[2] += myAtoms[i]->getZ() * mass;
+      
+      myAtoms[i]->getPos( aPos );
 
+      for( j = 0; j < 3; j++) 
+        COM[j] += aPos[j] * mass;
+
     }
   }
 
-  COM[0] /= mtot;
-  COM[1] /= mtot;
-  COM[2] /= mtot;
- 
+  for (j = 0; j < 3; j++) 
+    COM[j] /= mtot; 
 }
 
 double Molecule::getCOMvel( double COMvel[3] ) {