--- trunk/OOPSE-4/forceFields/SuttonChen.frc 2006/01/10 22:55:08 2542 +++ trunk/OOPSE-4/forceFields/SuttonChen.frc 2006/01/13 00:09:34 2561 @@ -6,7 +6,7 @@ begin Options DistanceMixingRule Geometric EnergyMixingRule Geometric // energy unit are eV. Convert to kcal/mol - EnergyUnitScaling 23.060523 + EnergyUnitScaling 23.0605423 cutoffPolicy MIX end Options @@ -27,14 +27,14 @@ Ni 0.0015714 39.755 6.0 9.0 3.52 begin SCAtomTypes // Name epsilon(eV) c m n alpha(angstroms) -Ni 0.0015714 39.755 6.0 9.0 3.52 -Cu 0.0012386 39.755 6.0 9.0 3.61 -Rh 0.00049371 145.658 6.0 12.0 3.80 -Pd 0.00041790 108.526 7.0 12.0 3.89 -Ag 0.00025415 145.658 6.0 12.0 4.09 -Ir 0.00024489 337.831 6.0 14.0 3.84 -Pt 0.0019835 34.428 8.0 10.0 3.92 -Au 0.0012794 34.428 8.0 10.0 4.08 -Pb 0.00055772 45.882 7.0 10.0 4.95 -Al 0.0033307 16.460 6.0 7.0 4.05 +Ni 0.015714 39.755 6.0 9.0 3.52 +Cu 0.012386 39.755 6.0 9.0 3.61 +Rh 0.0049371 145.658 6.0 12.0 3.80 +Pd 0.0041790 108.526 7.0 12.0 3.89 +Ag 0.0025415 145.658 6.0 12.0 4.09 +Ir 0.0024489 337.831 6.0 14.0 3.84 +Pt 0.019835 34.428 8.0 10.0 3.92 +Au 0.012896 34.428 8.0 10.0 4.08 +Pb 0.0055772 45.882 7.0 10.0 4.95 +Al 0.033307 16.460 6.0 7.0 4.05 end SCAtomTypes