> it shows me that the best of the 250 randomly generatet conformation has an
> energy at somewhere about 3.5 kcal/mol but after the minimization of this
> conformation the energy converges at about 68.2 kcal/mol.
I think you really need to provide us with the molecule before we can help you
fu
> 1. is it possible to generate the full set of rotamers ( any specified
> amount) rather then one with the lowest energy? If ansew to my question is
> yes, then HOW Can I ask f.e about structures of top 100?
> 2. by default. this program calculates # of rotatable bonds and # of
> rotamers
