AceCloud: Molecular Dynamics Simulations in the Cloud

  title={AceCloud: Molecular Dynamics Simulations in the Cloud},
  author={Matt J. Harvey and Gianni De Fabritiis},
  journal={Journal of chemical information and modeling},
  volume={55 5},
We present AceCloud, an on-demand service for molecular dynamics simulations. AceCloud is designed to facilitate the secure execution of large ensembles of simulations on an external cloud computing service (currently Amazon Web Services). The AceCloud client, integrated into the ACEMD molecular dynamics package, provides an easy-to-use interface that abstracts all aspects of interaction with the cloud services. This gives the user the experience that all simulations are running on their local… CONTINUE READING
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