Thank you very much, that was exacly what I wanted to know. Sorry for my poor description of those problems.

> On 5/31/12 11:06 AM, M wrote: > > Thank you very much. One last question: how are the atoms (residues) > > chosen for individual CG step? For example if residue span range is > > 10, does it mean that only first residues are optimized? > > I don't know what you mean by "first residues" here. The schedule isn't > for picking which atoms are optimized (that is the job of the selection > - see automodel's select_atoms method - which by default is all atoms). > The schedule picks which *restraints* are optimized. If the span range > is 10, that means all atom-atom restraints that act on atoms in residues > at most 10 apart in sequence are optimized. > > Ben Webb, Modeller Caretaker > -- > modeller-care@salilab.org http://www.salilab.org/modeller/ > Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage