[phenixbb] Two ions at same position

Pavel Afonine pafonine at lbl.gov
Sat Aug 2 08:12:41 PDT 2014

On 8/2/14, 5:36 AM, Elke De Zitter wrote:
>  you should make sure the summation of their occupancies equals 1.

While this might help refinement convergence, in general this is not 
necessarily because phenix.refine will constrain coupled occupancies to 
add up to 1.

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