wxc_scale automatically doubled during the refinement
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. Thanks! Yen-Ting
Yen-Ting, 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. Pavel. On 9/8/2008 7:43 PM, [email protected] 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.
Thanks!
Yen-Ting _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
participants (2)
-
Pavel Afonine
-
yentingl@gate.sinica.edu.tw