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Update the discussion of restraints in the ABFE section. In particular,
@egallicc to comment on possible issues with the theoretical discussion (please could you outline them in this issue?) and possibly update the discussion in the context of the revised theory section (Update Theory #136).
@sboresch may also like to add a comment on analytical corrections for Boresch restraints and generally contribute to the discussion.
Proposed Authors and Reviewers
Please confirm (before the end of January) that you are happy to author/ review and state when you're available. Authors, please say roughly when you plan to contribute the changes (no later than the end of May).
Proposed Change
Update the discussion of restraints in the ABFE section. In particular,
Proposed Authors and Reviewers
Please confirm (before the end of January) that you are happy to author/ review and state when you're available. Authors, please say roughly when you plan to contribute the changes (no later than the end of May).
Proposed authors: @egallicc (already confirmed via Overleaf), @sboresch, @fjclark @IAlibay @hannahbaumann?
Proposed reviewer: @andrrizzi?
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