[phenixbb] SA

Irina PROKHOROVA prokhoro at igbmc.fr
Thu Apr 30 02:20:33 PDT 2015


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?

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20150430/9075a21b/attachment.htm>

More information about the phenixbb mailing list