Amber Molecular Dynamics

Amber MD


AMBER is a key application in Molecular Dynamics used to simulate biocatalysis and the interaction between drug candidates and protein receptors. At the begining, it was a program designed to do Assisted Model Building with Energy Refinement and now is a suite which provides a set of biomolecular simulation tools to apply the AMBER force fields. Released in april 2022, AMBER 22 and AmberTools 22 are still the best software packages for Molecular Dynamics.

An exemplary feature of AMBER is the ability to use NVIDIA GPUs to massively accelerate complex molecular simulations. This enhances sampling efficiency, improves research accuracy, enables more advanced science and speeds up the research process.

License fees for Amber22 will change on April 15, 2023. The fee for not-for-profit users will be removed, and fees for for-profit users will become $25,000 USD for new licensees, and $20,000 for returning sites.


As the sole provider of AMBER Certified MD Systems in Europe, LinuxVixion offer turnkey solutions in collaboration with key AMBER developer Professor Ross Walker to offer value-add systems for GPU accelerated Molecular Dynamics simulations.

The Amber22 package builds on AmberTools22 by adding the pmemd program, which resembles the sander (molecular dynamics) code in AmberTools, but provides (much) better performance on multiple CPUs, and dramatic speed improvements on GPUs.

Save time installing, optimizing, benchmarking and validating and do more science instead.

Amber Molecular Dynamics

Image: A pseudotrajectory of the homodecameric human glutamine synthetase.

Benedikt Frieg and Holger Gohlke (FZJ Jülich)

If you want the fastest AMBER Molecular Dynamics solution on desktop hardware, take a look at our specialized GPU supercomputers


Our GPU Workstations and Servers are certified. All NVidia GeForce systems are fully validated for numerical correctness using custom validation suites.

GPU computing

«I personally verify all LinuxVixion machines»

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