.. AdaptivePELE documentation master file, created by
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========================================
Welcome to AdaptivePELE's documentation!
========================================

AdaptivePELE is a Python module to perform enhancing sampling of molecular
simulation built around the Protein Energy Landscape Exploration method (`PELE <https://pele.bsc.es/pele.wt>`_) developed in the Electronic and Atomic Protein Modelling grop (`EAPM <https://www.bsc.es/discover-bsc/organisation/scientific-structure/electronic-and-atomic-protein-modeling-eapm>`_) at the Barcelona Supercomputing Center (`BSC <https://www.bsc.es>`_). AdaptivePELE's 
code is publicly available in `GitHub <https://github.com/AdaptivePELE/AdaptivePELE>`_ under the MIT license.

.. image:: adaptiveDiagram.png
    :align: center
    :alt: image trouble

Contributors
============
`Daniel Lecina <https://github.com/lecina>`_, `Joan Francesc Gilabert <https://github.com/cescgina>`_, `Oriol Gracia <https://github.com/OriolGraCar>`_, `Daniel Soler <https://github.com/danielSoler93>`_

Mantainer
---------
Joan Francesc Gilabert (cescgina@gmail.com)

Contents
========

.. toctree::
   :maxdepth: 2

   UserManual
   Problems
   AdaptivePELE
   Changelog


Indices and tables
==================

* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`