[phenixbb] geometry weight optimization with mlhl target
Mooers, Blaine H.M. (HSC)
Blaine-Mooers at ouhsc.edu
Fri May 4 09:07:20 PDT 2012
I re-examined by command file and found a typo.
I am now optimizing the geometry with the mlhl target.
On May 4, 2012, at 3:44 AM, Pavel Afonine wrote:
> Hi Blaine,
> I'm not sure I understand what's happening. The target weights
> optimization is totally disconnected from target type, that is it should
> work with any target: LS, ML, MLHL, etc.
> Could you please send me all necessary inputs and explain how you run
> refinement so I can reproduce this myself?
> On 5/3/12 2:27 AM, Mooers, Blaine H.M. (HSC) wrote:
>> Dear Phenixbb,
>> How does one optimize geometry when using the mlhl target in
>> refinement with Henderson-Lattman coefficients in the input reflection
>> The wxc_scale keyword is not recognized when I used the mlhl target,
>> but it is recognized when
>> I use the ml target by setting main.use_experimental_phases=false.
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