OpenMM 7: Rapid Development of High Performance Algorithms for Molecular Dynamics
P. Eastman, J. Swails, J. D. Chodera, R. T. McGibbon, Y. Zhao, K. A. Beauchamp, L.-P. Wang, A. C. Simmonett, M. P. Harrigan, C. D. Stern, R. P. Wiewiora, B. R. Brooks, V. S. Pande
OpenMM 7 enables rapid development of high-performance molecular dynamics algorithms with extensible features that work across hardware types without modifying the core toolkit.
bioRxiv · Jun 28, 2017Biophysics