Add delta E comparison for a single window

BranniganLab / safep

Tools for Analyzing and Debugging (SA)FEP calculations. See also the SAFEP Tutorial: https://github.com/jhenin/SAFEP_tutorial/tree/main Documentation: https://safep-alchemy.readthedocs.io/en/latest/

GNU Lesser General Public License v2.1

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Add delta E comparison for a single window #5

Open EzryStIago opened 2 years ago