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  1. aN2MD aN2MD Public

    aN2MD (approaching NMR 2 MD) is a program that allows the user to obtain an .itp file avaiable for GROMACS from multiple .str files and then to make a violations analysis for simulations or single …

    Python

  2. pyemma_tutorials pyemma_tutorials Public

    Forked from markovmodel/pyemma_tutorials

    How to analyze molecular dynamics data with PyEMMA

    Jupyter Notebook