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Updates tolerances of plotting forward and reverse dg #1114

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merged 1 commit into from
Aug 9, 2023

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@badisa badisa commented Aug 9, 2023

Plots using Bar

47 Windows test

bp_2051

5 Windows test

bp_19

Plots using MBAR

47 Windows test

mbar_2051

5 Windows Test

mbar_19

After some offline discussions, in the case of difficulty computing overlap it is clear that you can get difference values from MBAR and BAR, but if there is reasonable convergence the dG values are similar.

2
47

* Change to MBAR in #1098
produces much more significant differences than BAR
@badisa badisa requested a review from jkausrelay August 9, 2023 18:02
@badisa badisa merged commit d7af228 into master Aug 9, 2023
@badisa badisa deleted the task/reduce-tolerance-for-fwd-reverse-dg branch August 9, 2023 19:41
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