--- trunk/OOPSE-4/forceFields/DUFF2.frc	2005/03/09 17:28:11	2096
+++ trunk/OOPSE-4/forceFields/DUFF2.frc	2005/04/11 20:18:53	2161
@@ -44,7 +44,9 @@ Kr		83.80		
 Cl		35.4527		
 Ar		39.948		
 Br		79.904		
-Kr		83.80		
+Kr		83.80	
+Cl-		35.4527
+Na+		22.9898
 end AtomTypes
 
 begin DirectionalAtomTypes
@@ -89,7 +91,9 @@ Kr	  0.32590340268		3.83	              
 Cl	  0.344781953445	3.35
 Ar	  0.238068461226	3.41
 Br	  0.511111921764	3.54
-Kr	  0.32590340268		3.83	              
+Kr	  0.32590340268		3.83
+Cl-	  0.100 		4.445
+Na+	  0.118			2.579	              
 end LennardJonesAtomTypes
 
 begin ChargeAtomTypes
@@ -104,29 +108,47 @@ Cl	 -1.0
 H_SPC     0.42
 EP_TIP4P -1.040
 EP_TIP5P -0.241
-Cl	 -1.0
+Cl-	 -1.0
+Na+	  1.0
 end ChargeAtomTypes
 
 begin MultipoleAtomTypes
-//only support up tp quadrupole.
-//possible format:
-// name d theta phi psi dipole_moment
-// name s theta phi psi dipole_moment splitdipole_distance
-// name q theta phi psi Qxx Qyy Qzz
-// name dq theta phi psi dipole_moment Qxx Qyy Qzz
-// name sq theta phi psi dipole_moment splitdipole_distance Qxx Qyy Qzz
-// euler angles are given in units of degree
-// dipoles are given in units of Debye
-// split dipole distances are given in units of Angstrom
-// quadrupoles are given in units of
+// OOPSE currently only supports charge-charge, charge-dipole, 
+// dipole-dipole, and charge-quadrupole interactions.
+// Dipoles may be either traditional point-dipoles or split-dipoles.
+// possible formats for a multipolar atom type are:
 //
-SSD_E   d       0.0     0.0     0.0     2.42
-SSD_RF  d       0.0     0.0     0.0     2.48
-SSD     d       0.0     0.0     0.0     2.35
-SSD1    d       0.0     0.0     0.0     2.35
-CE      d       0.0     0.0     0.0     1.693
-CK      d       0.0     0.0     0.0     2.478
-HDP     s       0.0     0.0     0.0     20.6    4.63
+// Point-dipoles:
+// name d phi theta psi dipole_moment
+//
+// Split-dipoles:
+// name s phi theta psi dipole_moment splitdipole_distance
+//
+// Point-Quadrupoles:
+// name q phi theta psi Qxx Qyy Qzz
+//
+// Atoms with both dipole and quadrupole moments:
+// name dq phi theta psi dipole_moment Qxx Qyy Qzz
+//
+// Atoms with both split dipoles and quadrupole moments:
+// name sq phi theta psi dipole_moment splitdipole_distance Qxx Qyy Qzz
+//
+// Euler angles are given in zxz convention in units of degrees.
+//
+// Charges are given in units of electrons.
+//
+// Dipoles are given in units of Debyes.
+//
+// Split dipole distances are given in units of Angstroms.
+//  
+// Quadrupole moments are given in units of 10^-26 esu cm^2 (also known as an
+//                                                           esu centi-barn)
+//
+SSD_E   dq       0.0     0.0     0.0     2.42  -1.682  1.762  -0.08
+SSD_RF  dq       0.0     0.0     0.0     2.48  -1.682  1.762  -0.08
+SSD     dq       0.0     0.0     0.0     2.35  -1.682  1.762  -0.08
+SSD1    dq       0.0     0.0     0.0     2.35  -1.682  1.762  -0.08
+//HDP     s       0.0     0.0     0.0     20.6    4.63
 end MultipoleAtomTypes
 
 begin StickyAtomTypes