[phenixbb] real_space_refine questions

Pavel Afonine pafonine at lbl.gov
Tue Jun 13 12:36:28 PDT 2017

Hi Daniel,

> - Is it possible to restrain the position of certain parts of the model (i.e. "freeze" them so that they move at all) to do focused refinement of subdomains or loops?

as Oleg pointed out reference model restraints (to restrain to initial 
position) should do the trick.

> - When I do a run with run=rigid_body, some rigid body groups move in to each other and overlap. Is there no collision detection using this algorithm?

Technically this can happen but so far I've never seen this actually 
happening. Would it be possible to send me map and model files so that I 
can reproduce what you describe and attempt to find a solution?


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