[phenixbb] simulated annealing
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Fri Jun 18 19:10:15 PDT 2010
> simulated_annealing.start_temperature=550000 \
This temperature is extremely large. It leads to chaotic trajectories,
i.e. small changes in the program can lead to very different outcomes.
I think it is just by chance that one phenix version crashes and the
other doesn't. My recommendation is to lower the start temperature
and to use the latest phenix version, which has many new features to
help improve the model in different ways, e.g. fix_rotamers=True or
the secondary structure restraints.
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