Supported Applications
ACEMD
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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.
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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.
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Installation
Use the following command to install this title with the CLI client:$ sbgrid-cli install acemd
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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.
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*Full citation information available through
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Keywords
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Default Versions
Linux 64:  3.3.0
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Other Versions
Linux 64:
2306, 2017.11.30, 20170619