--- trunk/OOPSE-3.0/forceFields/DUFF2.frc	2005/04/11 20:18:53	2161
+++ trunk/OOPSE-3.0/forceFields/DUFF2.frc	2005/05/17 02:09:25	2226
@@ -34,7 +34,7 @@ He		4.002602	
 TB3		28.06		
 TE3		30.08	
 H		1.00794		
-He		4.002602	
+He		4.002602
 C		12.0107		
 N		14.00674	
 O		15.9994		
@@ -44,9 +44,9 @@ Kr		83.80	
 Cl		35.4527		
 Ar		39.948		
 Br		79.904		
-Kr		83.80	
-Cl-		35.4527
-Na+		22.9898
+Kr		83.80
+U 		1.00
+GB		48.0428		
 end AtomTypes
 
 begin DirectionalAtomTypes
@@ -56,8 +56,14 @@ end DirectionalAtomTypes                    
 SSD_E		1.7696	0.6145	1.1550  
 SSD_RF		1.7696	0.6145	1.1550  
 HEAD		1125	1125	250
+GB		86.477	86.477	0
 end DirectionalAtomTypes                    
-                   	
+
+begin GayBerneAtomTypes
+//Name	Sigma   12b_ratio	eps     eps_ratio	mu      nu             
+GB 	3.35    2.074626866	1.31713 	.178317250385	2.0	1.0
+end GayBerneAtomTypes                 	
+
 begin LennardJonesAtomTypes
 //Name	epsilon			sigma	
 SSD	  0.152			3.051					
@@ -92,8 +98,7 @@ Cl-	  0.100 		4.445
 Ar	  0.238068461226	3.41
 Br	  0.511111921764	3.54
 Kr	  0.32590340268		3.83
-Cl-	  0.100 		4.445
-Na+	  0.118			2.579	              
+U	  1.0			1.0
 end LennardJonesAtomTypes
 
 begin ChargeAtomTypes
@@ -108,8 +113,7 @@ Cl-	 -1.0
 H_SPC     0.42
 EP_TIP4P -1.040
 EP_TIP5P -0.241
-Cl-	 -1.0
-Na+	  1.0
+Cl	 -1.0
 end ChargeAtomTypes
 
 begin MultipoleAtomTypes