[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.
Pavel
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