[phenixbb] SA

[Irina PROKHOROVA]

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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