Add scaled water rest implementation (second attempt) #873
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@zhang-ivy is this PR still something we want/need? |
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Closing this, since we did not observe that this addressed our sampling problems. |
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Description
This PR creates
RESTTopologyFactoryV3, a class that generates a rest-like system where the energies are scaled according to rest with the following exception: scale rest-water interactions by beta/beta_0 (previously was being scaled by sqrt(beta/beta_0).Motivation and context
How has this been tested?
Change log