A Python implementation of the multistate Bennett acceptance ratio (MBAR)
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Shirts MR and Chodera JD. Statistically optimal analysis of samples from multiple equilibrium states. J. Chem. Phys. 129:124105 (2008)    View

Analyze data from multiple equilibrium simulations at different thermodynamic states

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License: pyMBAR

pymbar has migrated to GitHub:
https://github.com/choderalab/pymbar

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Last updated
Jun 20, 2014
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John Chodera
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Michael Shirts

News

pymbar-1.0d available - critical bugfix

Nov 30, 2008

A new version of pyMBAR (1.0d) is available.. This version contains a critical bugfix in the pseudoinverse calculation subroutine where the *transpose* of the pseudoinverse was returned instead of the pseudoinverse.

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pymbar has migrated to GitHub:
https://github.com/choderalab/pymbar

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SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.

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