[ defaults ] ; LJ non-bonded Lorenz-Berthelot Generate 1-4 pairs FudgeLJ FudgeQQ 1 2 yes 1.0 1.0 [ atomtypes ] ;name mass charge ptype c6 c12 ClA 35.4532 1 A 0.0 0.0 ClS 0.0 -1 S 0.0 0.0 [ nonbond_params ] ; sigma epsilon ; TARGET VALUES ClA ClA 1 0.442084e+00 301.13796e-03 [ moleculetype ] solute 2 [ atoms ] ; id at type res nr residu name at name cg nr charge 1 ClA 1 ClI ClA 1 1 2 ClS 1 ClI ClS 1 -1 [ polarization ] 1 2 1 3.648e-03 [ bonds ] 1 2 5 [ system ] Pupolarizable ion [ molecules ] solute 1