├── .gitignore ├── LICENSE ├── README.md ├── openmmsetup ├── __init__.py ├── openmmsetup.py ├── static │ ├── Icon.svg │ └── ngl.js └── templates │ ├── addHeavyAtoms.html │ ├── addHydrogens.html │ ├── addResidues.html │ ├── configureAmberFiles.html │ ├── configureCharmmFiles.html │ ├── configureGromacsFiles.html │ ├── configurePdbFile.html │ ├── configureTinkerFiles.html │ ├── convertResidues.html │ ├── layout.html │ ├── runSimulation.html │ ├── selectChains.html │ ├── selectFileType.html │ └── simulationOptions.html └── setup.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/openmm/openmm-setup/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/openmm/openmm-setup/HEAD/LICENSE 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