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66d14f61bc
Add an Absolute Binding Free Energy Protocol to openfe. Key features & limitations: * Automatic Boresch restraint assignment. * Does not handle net charge corrections yet. --------- Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com> Co-authored-by: hannahbaumann <hbaumann@uci.edu> Co-authored-by: Hannah Baumann <43765638+hannahbaumann@users.noreply.github.com>
7 lines
154 B
Plaintext
7 lines
154 B
Plaintext
{
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"path": "../ExampleNotebooks/abfe_tutorial/abfe_tutorial.ipynb",
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"extra-media": [
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"../ExampleNotebooks/abfe_tutorial/abfe-cycle.png"
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}
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