Search CTRL + K

Chemistry at HARvard Macromolecular Mechanics

Chemistry at HARvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for Molecular Dynamics, and the name for the simulation and analysis software package associated with them.

CHARMM[1] was first released in 1983.

Planted: Thursday 12 October 2023
Last tended: Monday 23 June 2025

  1. B. R. Brooks, III Brooks, C. L., Jr. Mackerell, A. D., L. Nilsson, R. J. Petrella, B. Roux, Y. Won, G. Archontis, C. Bartels, S. Boresch, A. Caflisch, L. Caves, Q. Cui, A. R. Dinner, M. Feig, S. Fischer, J. Gao, M. Hodoscek, W. Im, K. Kuczera, T. Lazaridis, J. Ma, V. Ovchinnikov, E. Paci, R. W. Pastor, C. B. Post, J. Z. Pu, M. Schaefer, B. Tidor, R. M. Venable, H. L. Woodcock, X. Wu, W. Yang, D. M. York, and M. Karplus. CHARMM: The biomolecular simulation program. J. Comput. Chem., 30:1545–1614, 2009. ↩ī¸Ž