[phenixbb] phenix.refine simulated annealing modes

Pavel Afonine PAfonine at lbl.gov
Mon Jun 29 14:50:34 PDT 2009

Hi Alejandro,

sorry, it's not documented.

In your case use "once" or "first_half", which means the SA will be 
performed in a middle of refinement ("once"; at N/2 macro-cycle, where N 
is the total number of macro-cycles) or during first N/2 macro-cycles.


On 6/29/09 2:34 PM, Alejandro Buschiazzo wrote:
> Dear Phenix users,
> I can't find information on the precise meaning of the different modes 
> to perform SA during refinement; some choices are self-explanatory (such 
> as "every_macro_cycle" or "second_and_before_last"), but what about 
> "once" or "first_half"?
> (in my particular case, I want to perform only one simulated annealing 
> routine on the second macro_cycle: can I use "once"?  but, where should 
> I define at which cycle to perform it?)
> Thank you for your help,
> Best,

More information about the phenixbb mailing list