Fep branch v1.1 - Githubissues

michellab / BioSimSpaceTutorials

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Closed JenkeScheen closed 3 years ago

JenkeScheen commented 3 years ago

just two small fixes in the README.md:

example FE function is now .Binding() instead of .Solvation()
adjust the FEP pipeline figure to have the middle box (Run) say just SOMD/GROMACS

lohedges commented 3 years ago

I've manually updated this in main due to conflicts following the reordering of the directory structure.