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FE convergence #8

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jameseastwood opened this issue Aug 11, 2023 · 0 comments

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jameseastwood commented Aug 11, 2023 •

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Type
FE Calculation check
Question
Is the simulation approach converged? (from sim perspective)
How
Stationary result for a given time
Tool
PyMBAR
Publications
A Simple Method for Automated Equilibration Detection in Molecular Simulations | Journal of Chemical Theory and Computation (acs.org)

jameseastwood assigned mikemhenry and IAlibay

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