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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