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