--- trunk/OOPSE-3.0/forceFields/DUFF2.frc	2005/03/21 22:34:40	2130
+++ trunk/OOPSE-3.0/forceFields/DUFF2.frc	2005/05/18 19:06:22	2232
@@ -14,6 +14,7 @@ O_TIP3P		15.9994			
 SSD1            18.0153 
 SSD_E           18.0153
 SSD_RF          18.0153
+TAP		18.0153
 O_TIP3P		15.9994			
 O_TIP4P		15.9994
 O_TIP5P		15.9994	
@@ -34,7 +35,7 @@ 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		
@@ -44,7 +45,9 @@ Kr		83.80		
 Cl		35.4527		
 Ar		39.948		
 Br		79.904		
-Kr		83.80		
+Kr		83.80
+U 		1.00
+GB		48.0428		
 end AtomTypes
 
 begin DirectionalAtomTypes
@@ -53,15 +56,23 @@ HEAD		1125	1125	250
 SSD1		1.7696	0.6145	1.1550  
 SSD_E		1.7696	0.6145	1.1550  
 SSD_RF		1.7696	0.6145	1.1550  
+TAP		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					
 SSD1      0.152                 3.016 
 SSD_E	  0.152	                3.035
-SSD_RF    0.152                 3.019 
+SSD_RF    0.152                 3.019
+TAP	  0.152			3.035 
 O_TIP3P   0.1521                3.15061 
 O_TIP4P   0.1550                3.15365 
 O_TIP5P   0.16                  3.12   
@@ -89,7 +100,8 @@ 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
+U	  1.0			1.0
 end LennardJonesAtomTypes
 
 begin ChargeAtomTypes
@@ -143,6 +155,7 @@ SSD1    dq       0.0     0.0     0.0     2.35  -1.682 
 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
+TAP	dq       0.0     0.0     0.0     2.42  -1.682  1.762  -0.08
 //HDP     s       0.0     0.0     0.0     20.6    4.63
 end MultipoleAtomTypes
 
@@ -154,6 +167,10 @@ end StickyAtomTypes
 SSD1	0.07715	3.6613		3.6613	2.75	  3.35	2.75	4.0
 end StickyAtomTypes
 
+begin StickyPowerAtomTypes
+//name w0	v0 (kcal/mol)   v0p	rl (Ang)  ru	rlp	rup
+TAP	0.075	8.0		0.0	2.75	  3.75	2.75	3.25
+end StickyPowerAtomTypes
 
 begin BondTypes