[phenixbb] Turing off Auto-Modify initial isotropic ADP
Pavel Afonine
pafonine at lbl.gov
Thu Aug 30 00:08:04 PDT 2007
Hi James,
yes you can turn it off:
adp.iso.automatic_randomization_if_all_equal=false
I will fix it for the case of zero macro-cycles. The fix will be
available in the next PHENIX and CCI Apps.
Pavel.
James Fraser wrote:
> I'm trying to do an Fcalc with "main.number_of_macro_cycles=0
> main.bulk_solvent_and_scale=false export_final_f_model=mtz ", but the
> b-factors get randomized before the 0th cycle of refinement (see
> excerpt from log below).
>
> Is there anyway to turn this off?
>
> Thanks,
>
> jf
>
> <<LOG FILE>>
> ----------Auto-Modify initial isotropic ADP----------
>
> Randomizing
> |-ADP statistics (Wilson B = -4.823)------------------------------------------|
> ....
>
More information about the phenixbb
mailing list