--- trunk/OOPSE-4/forceFields/DUFF2.frc 2005/10/12 21:00:11 2359 +++ trunk/OOPSE-4/forceFields/DUFF2.frc 2005/10/14 15:44:37 2367 @@ -55,7 +55,8 @@ GB 48.0428 Br 79.904 Kr 83.80 U 1.00 -GB 48.0428 +GB 48.0428 +linear 48.0428 end AtomTypes begin DirectionalAtomTypes @@ -69,11 +70,13 @@ 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 +linear 3.35 2.074626866 1.31713 .178317250385 2.0 1.0 end GayBerneAtomTypes begin LennardJonesAtomTypes