Hello, you should set the atom's formal charge into atom::formal_charge which has type "int". This formal charge is a new feature and I can't guarantee that it is always correctly handled (now) but at least for the future that is the correct place. Regards, Tommi On Tue, 20 Feb 2007, Per Jr. Greisen wrote: > Hi, > > I am using ghemical to create input for GAMESS. How do you specify the state > of the atom f.ex. Zn2+ or O2- > > Thanks in advance > > -- > Best regards > Per