gromacs alchemical free energy tools and tutorials
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Tools and tutorials for facilitating alchemical free energy calculations with gromacs.

This project contains a series of scripts and tutorials for facilitating alchemical free energy calculations with the gromacs molecular dynamics suite.

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Last updated
Oct 8, 2008
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John Chodera
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Imran Haque

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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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