[phenixbb] refine : annealing and bulk solvent
pafonine at lbl.gov
Mon Oct 11 19:00:37 PDT 2010
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?
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