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slowcool with partial models?

Axel T. Brunger brunger at LAPLACE.CSB.YALE.EDU
Wed Aug 9 22:30:19 EST 1995

We've done slowcooling with as little as 50% of the model.  It's
important to make sure the ends don't move too far.  I would recommend
using harmonic point restraints to restrain the ends of the polypeptide
chain (terminii and missing pieces of the model).

   Axel Brunger

> Does anyone have experience using simulated annealing during the
> course of model-building: specifically, what fraction of the
> coordinates ought to be in place before slow-cooling is attempted?
> Any practical advice would be appreciated.

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