Quick Reaction Coordinate using Python
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Updated
Jun 23, 2024 - Python
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reaction-coordinate
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Binless weighted histogram analysis method (WHAM) aka multi-state Bennet acceptance ratio (MBAR) with the ability to combine umbrella sampling simulations with different restraints and project onto reaction coordinates other than ones sampled at
statistics dynamics molecular pmf free-energies mbar reaction-coordinate weighted-histogram-analysis
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Updated
Jun 27, 2018 - Python
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