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openmmtools

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine

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Contents:

  • Installation
  • Getting started tutorial
  • Developer's guide
  • Release History
  • Test Systems
  • Integrators
  • Thermodynamic and Sampler States
  • Cache
  • Markov chain Monte Carlo (MCMC)
  • Alchemical factories
  • Forces
  • Force Factories
  • Storage
  • Miscellaneous Utilities
  • Command-line scripts

Related Topics

  • Documentation overview
    • Previous: openmmtools.mcmc.MCRotationMove
    • Next: Alchemical factories

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