Add "How should I automate my calculations?" section

[fjclark]

Proposed Change

Add "How should I automate my calculations?" section. This may include

• Automated selection of where to concentrate sampling time e.g. https://pubs.acs.org/doi/10.1021/acs.jctc.1c00703,
• Possibly automated selection of restraints for ABFE, although this may be best left in the "single calculations" manuscript (Update discussion of restraints in ABFE alchemical-best-practices#146)
• Discussion of tools like alchemiscale?
• Discussion of active learning/ integration with REINVENT/ Maize for active learning?

Proposed Authors and Reviewers

Please volunteer (before the end of January) 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 authos: @vgapsys, other volunteers wanted
Proposed reviewer: Volunteer wanted