Hello,
While analysing the log file of the optimization proces (X.D00000001) I've discovered, that the number of steps is different than the number from the applied schedule. What is the cause?
The script I have used:
from modeller import *
from modeller.automodel import *
env = environ()
env.schedule_scale = physical.values(default=1.0, soft_sphere=0.7)
log.level(output=1, notes=1, warnings=1, errors=1, memory=0)
a = automodel(env, alnfile='alignment.pir',
knowns='template', sequence='target',
assess_methods=(assess.DOPE, assess.GA341))
a.starting_model = 1
a.ending_model = 200
a.library_schedule = autosched.slow
a.max_var_iterations = 300
a.md_level = refine.slow
a.repeat_optimization = 3
a.max_molpdf = 1e6
a.make()
The autosched.slow schedule according to the file from the modeller folder consists of 32 CG steps, while the log file contains only 27 steps per iteration.