Supported Software
Scientific Computing: Life Sciences & Materials Science
AMBER MD
AMBER is a suite of molecular modeling and molecular dynamics simulation tools, available for both CPUs and GPUs. AMBER refers to two things: a set of molecular mechanical force fields for the simulation of biomolecules that are in the public domain, and are used in a variety of simulation programs; and a package of molecular simulation programs.
AMBER GPU Benchmarks ran on an Exxact System
AMBER MD Capabilities
Comprehensive Biomolecular Force Fields
AMBER’s validated force fields capture detailed interactions across proteins, nucleic acids, and lipids, letting researchers explore mechanisms with confidence and derive interpretable, publication-ready insights.
Efficient GPU-Accelerated Performance
With GPU-optimized engines like pmemd.cuda, AMBER reaches long timescales quickly, making it practical to test hypotheses, compare conditions, and iterate on simulations that once required large clusters or long waits.
Flexible Tools for System Preparation
AMBER’s LEaP and related utilities streamline building, solvating, and parameterizing systems, reducing setup friction so users can focus on exploring behavior, validating ideas, and running reliable MD workflows.
Exxact AMBER-Certified GPU Systems
Exxact has teamed up with the AMBER development team to validate high performance computing platforms that provide the optimum price-performance. We strive to provide the best solution for every researcher's budget pairing them with the hardware they needed for running GPU accelerated AMBER night-in and night-out.
- Custom built to benefit the widest range of researchers at any budget
- Rigorously tested and validated to ensure high degree of stability
- All systems delivered are fully turnkey, patched on the latest version, and ready right out of the box
