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