--- trunk/OOPSE/libmdtools/WATER.cpp	2004/01/30 15:01:09	999
+++ trunk/OOPSE/libmdtools/WATER.cpp	2004/04/12 20:32:20	1097
@@ -644,6 +644,7 @@ void WATER::initializeAtoms( int nAtoms, Atom** the_at
 
   // initialize the atoms
   DirectionalAtom* dAtom;
+  double ji[3];
   double inertialMat[3][3];
 
   for( i=0; i<nAtoms; i++ ){
@@ -655,8 +656,6 @@ void WATER::initializeAtoms( int nAtoms, Atom** the_at
       painCave.isFatal = 1;
       simError();
     }
-    if( currentAtomType->isLJ ) the_atoms[i]->setLJ();
-    if( currentAtomType->isCharge ) the_atoms[i]->setCharged();
     the_atoms[i]->setMass( currentAtomType->mass );
     the_atoms[i]->setIdent( currentAtomType->ident );
 
@@ -685,14 +684,11 @@ void WATER::initializeAtoms( int nAtoms, Atom** the_at
  
       dAtom = (DirectionalAtom *) the_atoms[i];
       dAtom->setHasDipole( currentDirectionalType->isDipole );
-      dAtom->setMu( currentDirectionalType->dipole );
-      dAtom->setMu( currentDirectionalType->dipole );
 
-      // if it's sticky then it's an SSD type
-      dAtom->setSSD( currentDirectionalType->isSticky );
-      dAtom->setJx( 0.0 );
-      dAtom->setJy( 0.0 );
-      dAtom->setJz( 0.0 );
+      ji[0] = 0.0;
+      ji[1] = 0.0;
+      ji[2] = 0.0;
+      dAtom->setJ( ji );
       dAtom->setI( inertialMat );
  
       entry_plug->n_dipoles++;