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ACEMD

  • 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. ACEMD can read CHARMM/NAMD and AMBER input files, works with CUDA and OpenCL, and uses similar syntax to other MD software.

  • Usage

    To list all executables provided by ACEMD, run: $ sbgrid-list acemd Copy to clipboard

  • Usage Notes

    ​ACEMD (Basic Mode) is freely available to non-profit labs. Basic mode limits users from running the software on more than one GPU. To access this software, users must register using the htmd_register command. Users will need an ACEMD Pro node-locked license from Acellera to run the software on multiple GPUs.

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install acemd Copy to clipboard Available operating systems: Linux 64

  • Primary Citation*

    M. J. Harvey, G. Giupponi, and G. DeFabritiis. 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

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  3.3.0 (875.0 MB)

  • Other Versions

      Linux 64:

      20170619 (2.6 GB) , 2017.11.30 (3.4 GB) , 2306 (94.4 MB)
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