--- trunk/OOPSE/forceFields/DUFF.frc 2003/06/24 19:57:54 564 +++ trunk/OOPSE/forceFields/DUFF.frc 2003/06/25 21:11:42 566 @@ -21,24 +21,24 @@ HEAD CH3 fixed 2.75 #BondTypes !Atom1 Atom2 type distance k0 (kcal/mol) -HEAD CH3 fixed 2.75 -HEAD CH2 fixed 2.75 -HEAD CH fixed 2.75 -HEAD TB1 fixed 2.76 -HEAD TB2 fixed 3.20 -HEAD TB3 fixed 3.63 +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 +CH2 CH harmonic 1.526 260 CH CH harmonic 1.526 260 -TB1 TB1 fixed 1.56 -TB2 TB2 fixed 2.34 -TB3 TB3 fixed 3.12 -TB1 TE1 fixed 1.56 -TB2 TE2 fixed 2.34 -TB3 TE3 fixed 3.12 +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