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Article ID: 1707 - Last Modified: June 29, 2012

Why is Glide producing output poses that don't satisfy my constraints?

In Suite 2011 and earlier, the post-docking minimization step of Glide doesn't strictly enforce constraints, so it is possible for there to be constraint violations in the output poses. The motivation for not enforcing constraints strictly was to avoid eliminating good poses at this late stage of the docking process. Suite 2012 strictly enforces the constraints.

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