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Enabling charge changes in RFE protocol
This is the meta issue for allowing charge changes in the RFE protocol.
As of #569 - we have tooling in place to do charge changes, but it needs validation.
Current status:
@hannahbaumann is running CDK2 benchmarks from the FEP+ paper, and will be adding more things as results come through.
If it helps, we do a consistency test in perses with a charged host-guest system in https://github.com/choderalab/perses/blob/7eaa1626c7c935f9cc4156f9a53ced3694b40bf0/perses/tests/test_repex.py#L315
Basically it's running the transformation in both directions and check if it's close to zero after some number of iterations. The input data files should live under the data/host-guest path in perses