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Showing 2 open source projects for "amber"

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    ERmod

    Approximate solvation free energy calculator

    ...The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER.
    Downloads: 10 This Week
    Last Update:
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  • 2

    PyBrella

    Python script to automate umbrella sampling with AMBER

    PyBrella is a script designed to automate the umbrella sampling process, using the AMBER molecular dynamics package.
    Downloads: 0 This Week
    Last Update:
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