Supported Applications


  • Description

    a heavily optimized molecular dynamics (MD) engine specially designed to run on NVIDA GPUs. It is extremely fast (115ns/day for DHFR using 1 GPU) and performs MD simulations on the microsecond scale in a single workstation. ACDMD can read CHARMM/NAMD and AMBER input files, works with CUDA and OpenCL, and uses similar syntax to other MD software.

    ACEMD is freely available to non-profit labs, but each lab must register with Acellera before we can install the software. To include this software in your installation, please register here https://www.acellera.com/products/molecular-dynamics-software-gpu-acemd/getacemd/, then send a copy of your registration confirmation to us at licensing@sbgrid.org.

  • Primary Citation*

    M. J. Harvey, G. Giupponi, and G. D. Fabritiis. 2009. ACEMD: Accelerating biomolecular dynamics in the microsecond time scale. Journal of Chemical Theory and Computation. 5(6): 1632-1639.

    • *Full citation information available through