========
Overview
========

UFEDMM is an OpenMM extension for applying the Unified Free Energy Dynamics method.

* Free software: MIT license

============
Installation
============

UFEDMM is available as a conda package installable from the `mdtools <https://anaconda.org/mdtools>`_ conda channel.
To install it, either run:

.. code-block:: bash

    conda install -c conda-forge -c mdtools ufedmm

Or:

.. code-block:: bash

    mamba install -c conda-forge -c mdtools ufedmm

To use UFEDMM in your own Python script or Jupyter notebook, import it as follows:

.. code-block:: python

    import ufedmm

============
Contributing
============

Feedback, bug reports, and feature requests are welcome. They should be submitted to
UFEDMM's `issue tracker <https://github.com/craabreu/ufedmm/issues>`_. Pull requests are
alo greatly appreciated!