choderalab/pymbar — pull request #113 by kyleabeauchamp (2014-10-05 17:36:15+00:00)
Title: [WIP] Some minor bug fixes and towards pymbar-datasets loading

1. When the first state had zero samples, the free energies would set the reference state to the first state *with* samples. This was inconsistent with the old behavior, so I have fixed this.
2. The number of samples in `test_subsampling()` was too small, leading to occasional stochastic failures.
3. Started work formalizing the munging of datasets from `pymbar-datasets`, which will be coupled with an upcoming PR on that repo.