--- trunk/OOPSE-4/forceFields/DUFF2.frc 2005/04/11 20:16:50 2160 +++ trunk/OOPSE-4/forceFields/DUFF2.frc 2005/04/11 20:18:53 2161 @@ -47,7 +47,6 @@ Na 22.9898 Kr 83.80 Cl- 35.4527 Na+ 22.9898 -Na 22.9898 end AtomTypes begin DirectionalAtomTypes @@ -93,9 +92,8 @@ Cl- 0.1180 4.41724 Ar 0.238068461226 3.41 Br 0.511111921764 3.54 Kr 0.32590340268 3.83 -Cl- 0.1180 4.41724 -Na+ 0.002772 3.330445 -Na 0.002772 3.330445 +Cl- 0.100 4.445 +Na+ 0.118 2.579 end LennardJonesAtomTypes begin ChargeAtomTypes