Amber is a suite of biomolecular simulation programs. It began inthe late 1970's, and ismaintained by an active development community; see ourhistory page and ourcontributors page for more information.
The term "Amber" refers to two things. First, it is a set of molecular mechanicalforce fields for the simulation ofbiomolecules;these force fields are in the public domain, and are used in a variety ofsimulation programs. Second, it is apackage ofmolecular simulation programs which includes source code and demos.
Amber is distributed in two parts:AmberTools24 andAmber24. See theDownloadAmber link for information on how to download the code.
Amber is developed in an active collaboration ofDavid Case at Rutgers University,Tom Cheatham at the University of Utah,Ray Luo at UC Irvine,Ken Merz at Michigan State University, Maria Nagan at Stony Brook,Dan Roe at NIH, Adrian Roitberg at the University of Florida,Carlos Simmerling at Stony Brook,Junmei Wang at the University of Pittsburgh, Darrin York at Rutgers University,andmany others. Amber was originally developed under the leadership of PeterKollman.
Conflex has created anIntroduction to Amber in Japanese.
A good general overview of the Amber codes can be found in:
R. Salomon-Ferrer, D.A. Case, R.C. Walker. An overview of the Amberbiomolecular simulation package.WIREs Comput. Mol. Sci.3,198-210 (2013). (PDF)
D.A. Case, T.E. Cheatham, III, T. Darden, H. Gohlke, R. Luo, K.M. Merz, Jr., A.Onufriev, C. Simmerling, B. Wang and R. Woods. The Amber biomolecularsimulation programs.J. Computat. Chem.26, 1668-1688 (2005).
D.A. Case, H.M. Aktulga, K. Belfon, D.S. Cerutti, G.A. Cisneros, V.W.D. Cruzeiro, N. Forouzesh, T.J. Giese, A.W. Götz, H. Gohlke, S. Izadi, K. Kasavajhala, M.C. Kaymak, E. King, T. Kurtzman, T.-S. Lee, P. Li, J. Liu, T. Luchko, R. Luo, M. Manathunga, M.R. Machado, H.M. Nguyen, K.A. O’Hearn, A.V. Onufriev, F. Pan, S. Pantano, R. Qi, A. Rahnamoun, A. Risheh, S. Schott-Verdugo, A. Shajan, J. Swails, J. Wang, H. Wei, X. Wu, Y. Wu, S. Zhang, S. Zhao, Q. Zhu, T.E. Cheatham III, D.R. Roe, A. Roitberg, C. Simmerling, D.M. York, M.C. Nagan*, and K.M. Merz Jr.* AmberTools.J. Chem. Inf. Model.63, 6183-6191 (2023).
See theforce field page for information aboutforce fields that the code supports.
Members of the AMBER community are expected to adhere to theAMBER Code of Conduct.