Add new CLI charge methods example - #325
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IAlibay
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Sep 24, 2026
IAlibay
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This looks good.
For a separate PR, I think it would be good to have a cookbook that highlights how to get AshGC charges (either using the force field method or directly) - it's something we've been asked by some of our partners.
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I agree, made an issue for this in #328 |
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Adds the new forcefield option from OpenFreeEnergy/openfe#2152 to the charge settings CLI template.