[phenixbb] Output for den optimization runs
Francis E Reyes
Francis.Reyes at Colorado.EDU
Mon Jan 9 14:23:59 PST 2012
Is there an option to specify the starting torsion simulated annealing temperature when den.optimize=True ?
On Jan 9, 2012, at 10:45 AM, Jeff Headd wrote:
> Hi Francis,
> Each DEN optimization step outputs a lot of information, so at present
> the code suppresses that information and only a summary will be
> printed at the conclusion of optimization.
> I can add an option for verbose output, though if the job is running
> on multiple cores the logs would need to be written after all jobs
> have completed for the output to be readable.
> On Mon, Jan 9, 2012 at 9:39 AM, Francis E Reyes
> <Francis.Reyes at colorado.edu> wrote:
>> Is there a refine.log for each den (gamma, weight) optimization? I can't seem to find one anywhere and I'm curious to see how it's doing.
>> Francis E. Reyes M.Sc.
>> 215 UCB
>> University of Colorado at Boulder
>> phenixbb mailing list
>> phenixbb at phenix-online.org
> phenixbb mailing list
> phenixbb at phenix-online.org
More information about the phenixbb