ACEMD

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ACEMD [1] is a production bio-molecular dynamics software specially optimized to run on graphics processing units (GPUs) on NVIDIA graphics cards. ACEMD is the world fastest molecular dynamics engine for a single workstation allowing performance equivalent to over 100 CPUs and microsecond long trajectories. ACEMD reads CHARMM/NAMD and AMBER input files on a simple, yet powerful configuration interface.

References

  1. ↑ M. J. Harvey, G. Giupponi and G. De Fabritiis "ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale", Journal of Chemical Theory and Computation 5 pp. 1632-1639 (2009)

External links

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