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https://github.com/jjgoings/wham
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
https://github.com/jjgoings/wham
dynamics free-energies mbar molecular pmf reaction-coordinate statistics weighted-histogram-analysis
Last synced: 19 days ago
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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
- Host: GitHub
- URL: https://github.com/jjgoings/wham
- Owner: jjgoings
- License: mit
- Created: 2018-02-13T16:30:25.000Z (almost 7 years ago)
- Default Branch: master
- Last Pushed: 2018-06-27T15:55:22.000Z (over 6 years ago)
- Last Synced: 2024-10-16T05:49:35.354Z (2 months ago)
- Topics: dynamics, free-energies, mbar, molecular, pmf, reaction-coordinate, statistics, weighted-histogram-analysis
- Language: Python
- Homepage:
- Size: 6.84 KB
- Stars: 7
- Watchers: 2
- Forks: 0
- Open Issues: 0