; Argon [ defaults ] ; nb-function combinationrule 1 2 [ atomtypes ] ; type mass charge ptype sig eps AR 1.0 0.0 A 1.0 1.0 [ moleculetype ] ; molname nrexcl Argon 1 [ atoms ] ; id at type res nr residu name at name cg nr 1 AR 1 Argon AR 1 [ system ] ; systemname Argon [ molecules ] ; molecule number Argon 100 ;Argon 2