hi, i am having trouble with simulated annealing and have finally got it down to a test case that only takes 10 minutes to fail. using supplied phenix examples 1rxf.mtz and 1rxf_randomise.pdb i can run the following command and it fails in phenix1.6.2 but not in phenix1.5-2 the error is: RuntimeError: Bond distance > max_reasonable_bond_distance: 52.1931 > 50 command line arguments: phenix.refine 1rxf.mtz \ 1rxf_randomise.pdb wxc_scale=0.5 \ write_geo_file=False xray_data.low_resolution=60 \ disulfide_distance_cutoff=2.4 \ discard_psi_phi=False \ xray_data.high_resolution=5 \ strategy=individual_sites \ interleaved_minimization.number_of_iterations=2 \ main.simulated_annealing=true \ simulated_annealing.start_temperature=550000 \ simulated_annealing.cool_rate=450000 \ --overwrite \ --show-process-info \ > junk_cast2.log should i stick with 1.5 for simulated annealing? thanks jpd