Mdrun
=====

.. rubric:: Module

.. code-block:: python

   viennaptm.gromacs.mdrun

.. currentmodule:: viennaptm.gromacs.mdrun

.. autoclass:: Mdrun
   :members:


.. automethod:: __init__


.. rubric:: Methods

.. autosummary::

   ~Mdrun.__init__

   ~Mdrun.build_command

   ~Mdrun.build_gromacs_cmd

   ~Mdrun.expected_outputs

   ~Mdrun.inspect_result

   ~Mdrun.mpi_prefix

   ~Mdrun.post_run_checks

   ~Mdrun.run