MPI C++ code for driving restrained-ensemble simulations using a modified version of the method described in https://pubs.acs.org/doi/abs/10.1021/jp3110369. This package must be compiled against a modified version of GROMACS which can be found at https://github.com/jmhays/reMD-gromacs-5.2.git
This has now been published as part of:
Refinement of Highly Flexible Protein Structures using Simulation‐Guided Spectroscopy
Jennifer M. Hays, Marissa K. Kieber,Jason Z. Li, Ji In Han, Linda Columbus, Peter M. Kasson
Angewandte Chemie, 2018 doi: 10.1002/anie.201810462