Amber is a set of molecular mechanical force fields and a package of molecular simulation programs.


"Amber" refers to two things: a set of molecular mechanical force fields for the simulation of bio-molecules (which are in the public domain, and are used in a variety of simulation programs); and a package of molecular simulation programs which includes source code and demos.

Amber is distributed in two parts; AmberTools, which is open-source, and included in NMRbox and Amber, which is a paid package, and not included in NMRbox. AmberTools is a suite of several independent packages that work well by themselves or with the Amber force-fields. The AmberTools suite now contains "sander" (formally part of the paid version of Amber) which is the  workhorse program for molecular dynamics and structure refinements with explicit water or generalized Born solvent models.



NMRbox Version Software Version
1.0.0 16,
2.0.0 16,
3.0.0 17,


  • Molecular Dynamics
  • Structure Determination
  • Structure Refinement


The Amber biomolecular simulation programs
Case David A, Cheatham Thomas E, Darden Tom, Gohlke Holger, Luo Ray, Merz Kenneth M, Onufriev Alexey, Simmerling Carlos, Wang Bing, Woods Robert J,
Journal of computational chemistry. 2005; 26(16): 1668--1688