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
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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