Amber is a suite of biomolecular simulation programs. It began in
the late 1970's, and is
maintained by an active development community; see our history page and our
contributors page for more information.
The term "Amber" refers to two things. First, it is a set of molecular mechanical
force fields for the simulation of
these force fields are in the public domain, and are used in a variety of
simulation programs. Second, it is a package of
molecular simulation programs which includes source code and demos.
Amber is distributed in two parts:
Amber22. See the Download
Amber link for information on how to download the code.
Amber is developed in an active collaboration of
David 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,
and many others. Amber was originally developed under the leadership of Peter
Conflex has created an
Introduction 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 Amber
biomolecular 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 biomolecular
simulation 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 the force field page for information about
force fields that the code supports.
Members of the AMBER community are expected to adhere to the AMBER Code of Conduct.