[phenixbb] Output for den optimization runs

[Francis E Reyes]

Is there an option to specify the starting torsion simulated annealing temperature when den.optimize=True ?

F

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.
> 
> Jeff
> 
> 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.
>> 
>> Thanks!
>> 
>> F
>> 
>> ---------------------------------------------
>> Francis E. Reyes M.Sc.
>> 215 UCB
>> University of Colorado at Boulder
>> 
>> 
>> 
>> 
>> 
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