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Ensemble Validation Tools
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This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic ensemble it is performed in.

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License: checkensemble

NOTE: This SimTK repository is deprecated: Please visit instead:

https://github.com/shirtsgroup/checkensemble

This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic ensemble it is performed in.

112

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3

forum posts

Last updated
Aug 13, 2014
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Michael Shirts

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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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