[ defaults ] ; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ 1 2 no 1.0 0.833 [ atomtypes ] ; name at.num mass charge ptype sigma epsilon Na 11 22.9900 1.0000 A 0.23100 0.45000 OS 8 15.9994 -1.0000 A 0.38600 0.12 SO 16 32.0600 2.0000 A 0.35500 1.0465 HW 1 1.0079 0.5270 A 0.00000 0.00000 OW 8 15.9994 0.0000 A 0.31650 0.77323 MW 0 0.0000 -1.0540 D 0.00000 0.00000