19 Jun
2010
19 Jun
'10
2:10 a.m.
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. Ralf