Atomic Resolution Brownian Dynamics

Download the latest release of ARBD

Complementing experimental investigations, computational approaches yield a molecular picture of processes that are too small and fast to resolve experimentally in biological and nanotechnological systems. The most widely employed biological simulation method, all-atom MD, describes molecules with atomic resolution. However, MD is computationally expensive and might be overkill for many tasks. Coarse-graind (CG) Brownian dynamics (BD) simulations are a promising alternative for modeling macromolecular complexes.

BD achieves computational economy while keeping molecular-level detail by modeling the solute through point-like particles with parameterized properties but treating solvent molecules implicitly. Hence, CG BD simulations can be used to overcome the constraints of all-atom MD simulations, which are typically limited by computational resources to time and length scales under about 10 microseconds and 30 nanometers.

Atomic Resolution Brownian Dynamics (ARBD) is a code that takes advantage of GPUs to facilitate fast simulations. Uniquely, ARBD supports models that contain both point-like particles and grid-specified physical particles that possess both position and orientation.

You can download ARBD, compile with a recent version of the CUDA toolkit and begin testing included examples. Please contact Chris Maffeo at if you have any trouble using the software. Also, please note that the software is currently offered as an alpha release.