--- trunk/OOPSE/forceFields/DUFF.frc	2003/06/25 21:11:42	566
+++ trunk/OOPSE/forceFields/DUFF.frc	2003/08/12 18:15:06	687
@@ -1,15 +1,15 @@
-! This is the forcefield file for the TraPPE force field.
+! This is the forcefield file for the Dipolar Unified-atom Force Field (DUFF).
 ! the sections are divided into AtomTypes, BondTypes, BendTypes,
 ! and TorsionTypes.
 
 #AtomTypes
-!Atom		isDipole	isSSD	mass		LJ epsilon ( kcal/mol)		LJ sigma (Angstroms)	Dipole Moment (Debye)	w0	v0 (kcal/mol)
+!Atom		isDipole	isSSD	mass		LJ epsilon ( kcal/mol)		LJ sigma (Angstroms)	Dipole Moment (Debye)	w0	v0 (kcal/mol)	v0p (kcal/mol)	rl (Angstroms)	ru (Angstroms)	rlp (Angstroms)	rup (Angstroms)
 
 CH4		0		0	16.05		0.279				3.73
 CH3		0		0	15.04		0.185				3.75
 CH2		0		0	14.03		0.0866				3.95
 CH		0		0	13.02		0.0189				4.68
-SSD		1		1	18.03		0.152				3.051			2.35	0.07715	3.7284
+SSD		1		1	18.03		0.152				3.051			2.35	0.07715	3.7284	3.7284	2.75	3.35	2.75	4.0
 HEAD		1		0	196		0.185				5.75			20.6
 TB1		0		0	57.375		0.0866				4.0
 TE1		0		0	65.0		0.185				4.0
@@ -21,24 +21,24 @@ HEAD	CH3	harmonic	2.75		260
 #BondTypes
 !Atom1	Atom2	type		distance	k0 (kcal/mol)
 
-HEAD	CH3	harmonic	2.75		260
-HEAD	CH2	harmonic	2.75		260
-HEAD	CH	harmonic	2.75		260
-HEAD    TB1	harmonic	2.76		260
-HEAD	TB2	harmonic	3.20		260
-HEAD	TB3	harmonic	3.63		260
-CH3	CH3	harmonic	1.526		260
-CH3	CH2	harmonic	1.526		260
-CH3	CH	harmonic	1.526		260
-CH2	CH2	harmonic	1.526		260
-CH2	CH	harmonic	1.526		260
-CH	CH	harmonic	1.526		260
-TB1	TB1	harmonic	1.526		260
-TB2	TB2	harmonic	2.34		260
-TB3	TB3	harmonic	3.12		260
-TB1	TE1	harmonic	1.526		260
-TB2	TE2	harmonic	2.34		260
-TB3	TE3	harmonic	3.12		260
+HEAD	CH3	fixed		2.75		260
+HEAD	CH2	fixed		2.75		260
+HEAD	CH	fixed		2.75		260
+HEAD    TB1	fixed		2.76		260
+HEAD	TB2	fixed		3.20		260
+HEAD	TB3	fixed		3.63		260
+CH3	CH3	fixed		1.526		260
+CH3	CH2	fixed		1.526		260
+CH3	CH	fixed		1.526		260
+CH2	CH2	fixed		1.526		260
+CH2	CH	fixed		1.526		260
+CH	CH	fixed		1.526		260
+TB1	TB1	fixed		1.526		260
+TB2	TB2	fixed		2.34		260
+TB3	TB3	fixed		3.12		260
+TB1	TE1	fixed		1.526		260
+TB2	TE2	fixed		2.34		260
+TB3	TE3	fixed		3.12		260