[ defaults ] ; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ 1 1 no 1.0 1.0 [ atomtypes ] AR 39.948 0.0 A 0.00622127 9.69576e-06 [ moleculetype ] ; molname nrexcl Ar 1 [ atoms ] ; id at type res nr residu name at name cg nr charge 1 AR 1 Ar Ar 1 0 [ system ] ; Name Argon [ molecules ] ; Compound #mols AR 100