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Protocol : Times Square Sampling #25

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dotsdl opened this issue Jan 31, 2024 · 0 comments
Open

Protocol : Times Square Sampling #25

dotsdl opened this issue Jan 31, 2024 · 0 comments
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component-protocol

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@dotsdl
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dotsdl commented Jan 31, 2024

Implement Times Square Sampling in feflow, using existing openmmtools implementation.

We would want this to be written in such a way that the simulation-executing ProtocolUnit(s) can be swapped out for FAH-based ones in alchemiscale-fah.
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