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            "License :: OSI Approved :: GNU Library or Lesser General Public License (LGPL)",
            "Natural Language :: English",
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        "description": "===========\nOMMProtocol\n===========\n\n.. image:: https://travis-ci.org/insilichem/ommprotocol.svg?branch=master\n    :target: https://travis-ci.org/insilichem/ommprotocol\n\n.. image:: https://ci.appveyor.com/api/projects/status/3sobexd0dobfha09?svg=true\n    :target: https://ci.appveyor.com/project/jaimergp/ommprotocol\n\n.. image:: https://anaconda.org/insilichem/ommprotocol/badges/downloads.svg\n    :target: https://anaconda.org/InsiliChem/ommprotocol\n\n.. image:: https://readthedocs.org/projects/ommprotocol/badge/?version=latest\n    :target: http://ommprotocol.readthedocs.io/en/latest/?badge=latest\n    :alt: Documentation Status\n\n\nA command line application to launch molecular dynamics simulations with OpenMM\n\n.. image:: https://raw.githubusercontent.com/insilichem/ommprotocol/master/docs/img/ommprotocol.gif\n\n\nSome cool features\n------------------\n\n+ No coding required - just a YAML input file!\n+ Smart support for different input file formats:\n    + **Topology**: PDB/PDBx, Mol2, Amber's PRMTOP, Charmm's PSF, Gromacs' TOP, Desmond's DMS\n    + **Positions**: PDB, COOR, INPCRD, CRD, GRO\n    + **Velocities**: PDB, VEL\n    + **Box vectors**: PDB, XSC, CSV, INPCRD, GRO\n    + A fallback method is implemented and will attempt to load verything else that might be supported by `ParmEd <http://parmed.github.io/ParmEd/html/index.html>`_.\n+ Choose your preferred **trajectory** format (PDB, PDBx, DCD, HDF5, NETCDF, MDCRD) and **checkpoints** (Amber's, CHARMM's, OpenMM XML states).\n+ Live report of simulation progress, with estimated ETA and speed.\n+ Checkpoint every *n* steps. Also, emergency rescue files are created if an error occurs.\n+ Autochunk the trajectories for easy handling.\n\n\nInstallation & usage\n--------------------\nDownload the `latest installer <https://github.com/insilichem/ommprotocol/releases/latest>`_ or use ``conda install -c omnia -c insilichem ommprotocol`` if you already have Anaconda/Miniconda installed. Further details `here <http://ommprotocol.readthedocs.io/en/latest/install.html>`_.\n\nWhen installed, you should be able to run:\n\n::\n\n    ommprotocol <inputfile.yaml>\n\nCheck the `documentation <http://ommprotocol.readthedocs.io/en/latest/input.html>`_ to read more on how to create input files for OMMProtocol.\n\n\nGet help\n--------\n\n.. image:: https://readthedocs.org/projects/ommprotocol/badge/?version=latest\n    :target: http://ommprotocol.readthedocs.io/en/latest/?badge=latest\n    :alt: Documentation Status\n\nDocumentation is always available at `ReadTheDocs <http://ommprotocol.readthedocs.io>`_. If you have problems running ``ommprotocol``, feel free to `create an issue <https://github.com/insilichem/ommprotocol/issues>`_! Also, make sure to visit our main webpage at `insilichem.com <http://www.insilichem.com>`_.\n\n\nCitation\n--------\n\nOMMProtocol is scientific software, funded by public research grants (Spanish MINECO's project ``CTQ2014-54071-P``, Generalitat de Catalunya's project ``2014SGR989`` and research grant ``2015FI_B00768``, COST Action ``CM1306``). If you make use of Ommprotocol in scientific publications, please cite it. It will help measure the impact of our research and future funding! A manuscript is in progress. In the meantime, please cite this repository URL.\n\n.. code-block:: latex\n\n    @misc{ommprotocol,\n    author       = {Jaime Rodr\u00edguez-Guerra Pedregal and\n                    Lur Alonso-Cotchico and\n                    Lorea Velasco and\n                    Jean-Didier Mar\u00e9chal},\n    title        = {OMMProtocol: A command line application to launch molecular dynamics simulations with OpenMM},\n    url          = {https://github.com/insilichem/ommprotocol}\n    }",
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