[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [modeller_usage] PD: Re: optimization schedule



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?


> On 5/31/12 10:26 AM, M wrote:
> > I was asking about the Conjugate gradients optimization
> > initializations (each step of adding additional restraints), not
> > about the steps of one CG process.
> 
> Before the schedule is used in comparative modeling, schedule steps with
> a range larger than the length of your sequence are removed, since they
> are redundant; see
> http://salilab.org/modeller/9.10/manual/node267.html
> 
> 	Ben Webb, Modeller Caretaker
> --
>              http://www.salilab.org/modeller/
> Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage