Re: [modeller_usage] structure refinement and loop optimization protocol

On 6/16/10 7:45 AM, Thomas Evangelidis wrote: ... > From your experience what values > should be assigned to the following parameters: > > # Normal VTFM model optimization: > a.library_schedule = autosched.normal > a.max_var_iterations = 200 # 200 by default > # Very thorough MD model optimization: > a.md_level = refine.slow > a.repeat_optimization = 1 > a.loop.md_level = refine.slow # Loop model refinement level

In my experience the defaults are generally fine here - there's little substitute for simply building more models to get a better sampling.

Ben Webb, Modeller Caretaker