Millisecond-scale molecular dynamics simulations on Anton

  title={Millisecond-scale molecular dynamics simulations on Anton},
  author={David E. Shaw and Ron O. Dror and John K. Salmon and Jerry P. Grossman and Kenneth M. Mackenzie and Joseph A. Bank and Cliff Young and Martin M. Deneroff and Brannon Batson and Kevin J. Bowers and Edmond Chow and Michael P. Eastwood and Doug Ierardi and John L. Klepeis and Jeffrey Kuskin and Richard H. Larson and Kresten Lindorff-Larsen and Paul Maragakis and Mark A. Moraes and Stefano Piana and Yibing Shan and Brian Towles},
  journal={Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis},
  • D. Shaw, R. Dror, B. Towles
  • Published 2009
  • Biology
  • Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis
Anton is a recently completed special-purpose supercomputer designed for molecular dynamics (MD) simulations of biomolecular systems. The machine's specialized hardware dramatically increases the speed of MD calculations, making possible for the first time the simulation of biologicl molecules at an atomic level of detail for periods on the order of a millisecond---about two orders of magnitude beyond the previous state of the art. Anton is now running simulations on a timescale at which many… 

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