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Migrate thermodynamic trailblazing to openmmtools #1287

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jchodera opened this issue Jul 21, 2022 · 0 comments
Open

Migrate thermodynamic trailblazing to openmmtools #1287

jchodera opened this issue Jul 21, 2022 · 0 comments
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refactoring Slated for refactoring

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@jchodera
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We should migrate the thermodynamic trailblazing code to openmmtools, along with the relevant tests of this functionality. We could use this for relative and absolute free energy calculations.

cc @dominicrufa
@jchodera jchodera added the refactoring Slated for refactoring label Jul 21, 2022
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