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
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