[ WIP ] Add tutorial for membrane RBFE calculation#286
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hannahbaumann wants to merge 2 commits intomainfrom
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[ WIP ] Add tutorial for membrane RBFE calculation#286hannahbaumann wants to merge 2 commits intomainfrom
hannahbaumann wants to merge 2 commits intomainfrom
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jthorton
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Feb 6, 2026
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Line #25. settings=RelativeHybridTopologyProtocol._adaptive_settings(
Do we not need to add the lipid force field to the settings or is adaptive doing this? Also this is another place we are exposing _adaptive to the world do we need to add a public entry point?
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Line #43. network = openfe.AlchemicalNetwork(transformations)
Woow so many warnings we need to remove a lot of these!
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