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Computational Biophysics at Arizona State University

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  1. GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, 2016.x, 2018.x, 2019.x…

    Python 84 25

  2. Calculation of water/solvent partition coefficients with Gromacs.

    Python 11 4

  3. molecular dynamics, with Fireworks!

    Python 6 1

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