[phenixbb] sum(occ)<1?

Pavel Afonine pafonine at lbl.gov
Fri Jul 16 22:10:32 PDT 2010


  Hi Ed,

> Reset occupancies that are outside the [0,1] range at every step of
> minimization.

this simply will not work: this will invalidate the internal memory of 
LBFGS minimizer that we use in phenix.refine and as result it will drive 
it crazy.

Pavel.




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