[phenixbb] wxc_scale automatically doubled during the refinement
PAfonine at lbl.gov
Sun Oct 5 18:11:58 PDT 2008
it is OK of it does not screw up the Rfree, Rfree-Rwork and expected
geometry deviations at given resolution. I will add an option so one can
disable this behavior.
Please let me know if this causes any problem.
On 9/8/2008 7:43 PM, yentingl at gate.sinica.edu.tw wrote:
> Dear phenix users,
> I've observed that in phenix 1.3 final if I specify wxc_scale the value is automatically doubled in every successive macrocycle. For example if I set wxc_scale=0.9 at the beginning, it becomes 1.8, 3.6, 7.2, 14.4 ... at macrocycle 2, 3, 4, 5 ... Is this normal? This was not found in phenix 1.3 rc4 on the same machine.
> phenixbb mailing list
> phenixbb at phenix-online.org
More information about the phenixbb