[phenixbb] Refinement cycles
pafonine at lbl.gov
Thu Jul 17 08:28:12 PDT 2014
3 is a compromise between runtime and chances to reach convergence. If
initial model is good this may be enough, otherwise 5-10 is better. Look
how R-factors change between macro-cycles and this is the best guide:
once they reach a plateau that's the point to stop.
On 7/17/14, 7:49 AM, George Devaniranjan wrote:
> I was wondering if there is a reason for setting the default number of
> refinement cycles to 3 in Phenix refine?
> is there a number of cycles at which point it becomes unacceptable to
> run so many ?
> Thank you,
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