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. Pavel. 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 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb