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