Mark Daniels wrote: > Is there any way in which one can generate output from, or verify the > running of, the .md_level routine in Modeller8v2? I do not see any > indication in the .log that a molecular dynamics simulated- annealing > routine was applied to any model generated when I specify " > automodel.md_level = refine.very_fast ".
That doesn't run MD refinement - it merely requests it for the next model building run (automodel.make()). So you won't see anything in the log.
If you continue to have problems, please post your whole script.
Ben Webb, Modeller Caretaker