Amber is a collection of programs for setting-up, running and analysing molecular dynamics simulations.
Amber refers both to a collection of about 50 programs for building, configuring and minimising molecular structures, setting up force fields, running simulations, analysing trajectories, and computing system properties, and to a force field for biomolecules implemented by the Amber programs.
Benchmark
Amber 14 benchmark at Collserola
Actual speed-up (green) and ideal speed-up (blue) vs. number of cores for the NPT simulation of a short peptide with ff14SB force field, TIP3P water and PME electrostatics.