kyleabeauchamp/repex — pull request #1 by kyleabeauchamp (2014-05-31 21:16:14+00:00)
Title: [WIP] Implemented REST

This is totally not ready for merging, but I wanted to get an early PR to let people know the code exists. I'm not even sure if the code belongs here or in Yank, for example.

1. The actual softening is done by static member functions, so one could use them to drive a standalone single-trajectory in a REST-softened hamiltonian