pymbar
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  • Getting started
  • The mbar module: MBAR
  • The timeseries module pymbar.timeseries
  • The testsystems Module: pymbar.testsystems
pymbar
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pymbar¶

Python implementation of the multistate Bennett acceptance ratio (MBAR) method for estimating expectations and free energy differences

Documentation¶

  • Getting started
    • Installing pymbar
    • Running the tests
  • The mbar module: MBAR
  • The timeseries module pymbar.timeseries
    • Automatically identifying the equilibrated production region
    • Subsampling timeseries data
    • Other utility timeseries functions
  • The testsystems Module: pymbar.testsystems

Indices and tables¶

  • Index
  • Module Index
  • Search Page
Next

© Copyright 2017, John D. Chodera, Michael Shirts, Kyle A. Beauchamp, Levi N. Naden. Revision 727233fe.

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