AmberTools consists of several independently developed packages that work well by themselves, and with Amber itself. The suite can also be used to carry out complete molecular dynamics simulations, with either explicit water or generalized Born solvent models. It contains packages/tools to generate force fields for general organic molecules and metal centers, preparation programs for Amber simulations, semi-empirical and DFTB quantum chemistry program, tools to perform numerical solutions to Poisson-Boltzmann models, programs for structure and dynamics analysis of trajectories etc.

 

Application/Keywords: Molecular Dynamics Simulations, Force field generation, Trajectory analysis, Quantum Chemistry calculation, Binding Energy calculation.