[phenixbb] SA

[Pavel Afonine]

Hi Irina,

SA scope of parameters needs "refinement." prefix:

refinement.simulated_annealing {
     mode = every_macro_cycle second_and_before_last once *first first_half
}

Let me know if it doesn't do it!

Pavel

On 4/30/15 2:20 AM, Irina PROKHOROVA wrote:
> Hello,
>
> I am trying to run coordinate refinement 5 cycles with first cycle of 
> simulated annealing (torsion) via command line. Here is a part of my 
> params file that I adapted from my colleges:
>
> refinement.main {
>     number_of_macro_cycles = 5
>     target = *ml mlhl ml_sad ls
>     simulated_annealing_torsion = True
> }
>
> simulated_annealing {
>     mode = every_macro_cycle second_and_before_last once *first first_half
> }
>
> refinement.refine {
>     strategy = *individual_sites individual_sites_real_space rigid_body \
>                 individual_adp group_adp tls occupancies group_anomalous
>     sites {
>       individual = segid *A
>       individual = segid *B
>     }
>
>
>
> As a result I get the Error
>> Unused parameter definitions:
>>   simulated_annealing.mode (file "refine.params", line 26)
> Could you help me with the syntax, please. Should I include sites 
> definition for simulated annealing?
>
> Irina
>
>
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