--- trunk/OOPSE-4/forceFields/DUFF2.frc 2005/05/29 21:14:38 2247 +++ trunk/OOPSE-4/forceFields/DUFF2.frc 2005/09/15 00:10:58 2292 @@ -46,6 +46,8 @@ Ar 39.948 Ne 20.1797 S 32.066 Cl 35.4527 +Cl- 35.4527 +Na+ 22.98977 Ar 39.948 Br 79.904 Kr 83.80 @@ -102,6 +104,8 @@ Ar 0.238068461226 3.41 Ne 0.09339914589 2.72 S 0.36366050421 3.52 Cl 0.344781953445 3.35 +Cl- 0.100 4.445 +Na+ 0.118 2.579 Ar 0.238068461226 3.41 Br 0.511111921764 3.54 Kr 0.32590340268 3.83 @@ -123,6 +127,8 @@ end ChargeAtomTypes EP_TIP4P-Ew -1.04844 EP_TIP5P -0.241 Cl -1.0 +Cl- -1.0 +Na+ 1.0 end ChargeAtomTypes begin MultipoleAtomTypes