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alchemistry / alchemlyb

the simple alchemistry library
https://alchemlyb.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Support AutoMBAR in forward and backward convergence #189

Closed VOD555 closed 2 years ago

VOD555 commented 2 years ago

I currently have a data set which can only be analyzed by autombar (related to one issue in pymber https://github.com/choderalab/pymbar/issues/419 ). I want to get the forward and backward convergence plot using mbar, and I found the current version doesn't support autombar in convergence analysis. It would help if it's supported.

xiki-tempula commented 2 years ago

@VOD555 Thanks for the suggestion, I will add this option tonight.