Oh, I know this one. It's called CNS :)
You probably have to set hydrogen_flag=true in the generate.inp script - it's false by default. If some other atoms are missing and you want to keep it that way, use atom_build=(hydrogen) Cheers, Ed. > Anyone know of a util that'll add hydrogens in a naming scheme consistent > with CNS? (reduce doesn't do this). > > > Thanks! > > F > > > > > --------------------------------------------- > Francis E. Reyes PhD > 215 UCB > University of Colorado at Boulder > -- Edwin Pozharski, PhD University of Maryland, Baltimore
