alchemical-best-practices
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Discuss Newer Restraint Schemes for ABFE
It might be helpful to discuss newer ABFE restraint schemes such as those proposed here and used in this workflow, and the "distance-from-bound-configuration" restraints proposed here and used in this workflow. I think they're well recognised enough and available enough to users through streamlined workflows to justify adding a few sentences on them.
I've mentioned this to @ppxasjsm and will submit a PR with the above additions.
Thanks.