[phenixbb] an atom moves away during model refinement

[Dmitry Semchonok]

Dear colleagues,

While refining my model, the Mg atom for some of the margin units moves far away from them. I am also using the ELBOW files of Mg during the refinement.

What is the way to restrict the movement of atoms during refinement?
I found that this behaviour can be observed after simulated annealing is on. And the harmonic_restraints may be acquired to restrict atom movement.
Is that right?
I am using the GUI version of Phenix, and I cannot see those parameters.

Thank you.

Sincerely,
Dmitry



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