mbar_analysis

Perform MBAR calculation to determine potential of mean force profile from umbrella sampling simulation data.

Required packages: pymbar, numpy, matplotlib, scipy

Example dataset: record of collective variables for umbrella sampling windows 0-44

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mbar_codes		mbar_codes
PMF-Convergence.png		PMF-Convergence.png
PMF-Final.png		PMF-Final.png
README.md		README.md
copy.sh		copy.sh
main.py		main.py

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