--- trunk/OOPSE/forceFields/DUFF.frc 2003/06/23 21:24:03 563 +++ trunk/OOPSE/forceFields/DUFF.frc 2003/06/24 19:57:54 564 @@ -19,7 +19,7 @@ TE3 0 0 65.0 0.185 8.0 TE3 0 0 65.0 0.185 8.0 #BondTypes -!Atom1 Atom2 type distance +!Atom1 Atom2 type distance k0 (kcal/mol) HEAD CH3 fixed 2.75 HEAD CH2 fixed 2.75 @@ -27,12 +27,12 @@ CH3 CH3 fixed 1.54 HEAD TB1 fixed 2.76 HEAD TB2 fixed 3.20 HEAD TB3 fixed 3.63 -CH3 CH3 fixed 1.54 -CH3 CH2 fixed 1.54 -CH3 CH fixed 1.54 -CH2 CH2 fixed 1.54 -CH2 CH fixed 1.54 -CH CH fixed 1.54 +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 fixed 1.56 TB2 TB2 fixed 2.34 TB3 TB3 fixed 3.12