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Remove pymbar #268

Merged
merged 10 commits into from
Dec 6, 2024
Merged

Remove pymbar #268

merged 10 commits into from
Dec 6, 2024

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CalCraven
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This PR will toggle on the monte_carlo_override for all engines in all subprojects, such that using pymbar to get decorrelated samples is not used, and all density averages come from every datapoint in the log-npt.txt values for each engine. All figure, and data csv are updated to reflect this change.

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@CalCraven CalCraven merged commit f96a924 into mosdef-hub:main Dec 6, 2024
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@CalCraven CalCraven deleted the remove_pymbar branch December 6, 2024 14:07
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