--- trunk/OOPSE-4/forceFields/DUFF2.frc	2005/05/29 21:14:38	2247
+++ trunk/OOPSE-4/forceFields/DUFF2.frc	2005/10/18 18:36:14	2382
@@ -9,18 +9,21 @@ CH		13.02		
 CH4		16.05		
 CH3		15.04		
 CH2		14.03		
-CH		13.02		
+CH		13.02
+DIP             9.00764		
 SSD		18.0153		
 SSD1            18.0153 
 SSD_E           18.0153
 SSD_RF          18.0153
 TAP		18.0153
+O_DIP3P		15.9994			
 O_TIP3P		15.9994			
 O_TIP4P		15.9994
 O_TIP4P-Ew      15.9994
 O_TIP5P		15.9994	
 O_SPCE		15.9994
 O_SPC		15.9994	
+H_DIP3P		1.0079
 H_TIP3P		1.0079
 H_TIP4P		1.0079
 H_TIP4P-Ew      1.0079
@@ -46,15 +49,20 @@ Ar		39.948		
 Ne		20.1797		
 S		32.066		
 Cl		35.4527		
+Cl-		35.4527
+Na+		22.98977
 Ar		39.948		
 Br		79.904		
 Kr		83.80
 U 		1.00
-GB		48.0428		
+GB		48.0428	
+linear		48.0428		
 end AtomTypes
 
 begin DirectionalAtomTypes
 //Name		I_xx	I_yy	I_zz	(All moments in (amu*Ang^2)
+H_DIP3P         0       0       0
+DIP             0.8202  0.8202  0
 SSD		1.7696	0.6145	1.1550  
 SSD1		1.7696	0.6145	1.1550  
 SSD_E		1.7696	0.6145	1.1550  
@@ -62,20 +70,24 @@ end DirectionalAtomTypes                    
 TAP		1.7696  0.6145  1.1550
 HEAD		1125	1125	250
 GB		86.477	86.477	0
+linear		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
+GBPaper 	3.35    3	.774729 	.2	2.0	1.0
+linear 	2.8104  3.555721	.774729 	.150814		2.0	1.0
 end GayBerneAtomTypes                 	
 
 begin LennardJonesAtomTypes
 //Name	epsilon			sigma	
+DIP             0.038025        3.12
 SSD	  	0.152		3.051					
 SSD1      	0.152           3.016 
 SSD_E	 	0.152	        3.035
 SSD_RF    	0.152           3.019
 TAP	  	0.152		2.9 
+O_DIP3P   	0.1521          3.15061 
 O_TIP3P   	0.1521          3.15061 
 O_TIP4P   	0.1550          3.15365 
 O_TIP4P-Ew      0.16275         3.16435
@@ -102,6 +114,8 @@ Ar	  	0.238068461226	3.41
 Ne	  	0.09339914589	2.72
 S	  	0.36366050421	3.52
 Cl	  	0.344781953445	3.35
+Cl-		0.100		4.445
+Na+		0.118		2.579
 Ar	  	0.238068461226	3.41
 Br	  	0.511111921764	3.54
 Kr	  	0.32590340268	3.83
@@ -123,6 +137,8 @@ end ChargeAtomTypes
 EP_TIP4P-Ew     -1.04844
 EP_TIP5P 	-0.241
 Cl	 	-1.0
+Cl-		-1.0
+Na+		1.0
 end ChargeAtomTypes
 
 begin MultipoleAtomTypes
@@ -157,6 +173,8 @@ SSD_E   dq       0.0     0.0     0.0     2.42  -1.682 
 // Quadrupole moments are given in units of 10^-26 esu cm^2 (also known as an
 //                                                           esu centi-barn)
 //
+H_DIP3P d        0.0     0.0     0.0     1.91
+DIP     d        0.0     0.0     0.0     1.91
 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