Hi Pavel, I re-examined by command file and found a typo. I am now optimizing the geometry with the mlhl target. Best regards, Blaine 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?
Thanks, Pavel
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 file?
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.
Blaine
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