[phenixbb] refine : annealing and bulk solvent

Pavel Afonine pafonine at lbl.gov
Mon Oct 11 19:00:37 PDT 2010

  HI Bryan,

yes, this correct. There is not much sense to do the bulk-solvent update 
even more often than we already do. And the bulk-solvent model itself 
may not really change between those steps.


On 10/11/10 10:16 AM, Lepore, Bryan wrote:
> [ phenix 1.6.4-486 ]
> from the program output, it appears that prior to annealing ( e.g. torsion ), a bulk solvent grid search is run using the initial model. after that ends, all the annealing steps are carried out on the model using the initially optimized bulk solvent. When annealing is done, another search is conducted on the final model.
> i.e. there are no bulk solvent changes during annealing.
> is this right?
> -bryan
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