OpenMM 7: Rapid Development of High Performance Algorithms for Molecular Dynamics

Peter Eastman, Jason Swails, John D. Chodera, Robert T. McGibbon, Yutong Zhao, Kyle A. Beauchamp, Lee-Ping Wang, Andrew C. Simmonett, Matthew P. Harrigan, Bernard R. Brooks, Vijay S. Pande
preprint: [bioRxiv] [website] [GitHub]

We describe the latest version of OpenMM, a GPU-accelerated framework for high performance molecular simulation applications.