AmberTools consists of several independently developed packages that work well by themselves, and with Amber (Assisted Model Building with Energy Refinement) itself. The suite can also be used to carry out complete (non-periodic) molecular dynamics simulations (using NAB), with generalized Born solvent models.
AmberTools consists of 7 main codes
NAB build molecules; run MD or distance geometry, using generalized Born, Poisson-Boltzmann or 3D-RISM implicit solvent models
antechamber Create force fields for general organic molecules
ptraj Analyze trajectories from Amber or CHARMM
tleap and xleap Basic preparation program for Amber simulations
sleap replaces and expands tleap
sqm semiempirical and DFTB quantum chemistry program
pbsa Performs numerical solutions to Poisson-Boltzmann models
- Linux / MacOsX / Window with Cygwin
:: MORE INFORMATION
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).