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AFE protocol requires validator to check FF settings #702

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richardjgowers opened this issue Feb 5, 2024 · 0 comments
Open

AFE protocol requires validator to check FF settings #702

richardjgowers opened this issue Feb 5, 2024 · 0 comments

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@richardjgowers
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With the rearrangement of settings in #689 vacuum and solvent phases have their own ForceField settings objects (to accommodate separate nonbonded_methods). There should be some validator that checks that other settings are identical (and the simulation makes sense)

see: #689 (comment)
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@richardjgowers