tfep.potentials.gromacs.GmxMdrun
================================

.. currentmodule:: tfep.potentials.gromacs

.. autoclass:: GmxMdrun
   :members:
   :show-inheritance:
   :inherited-members: Module,LightningModule

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~GmxMdrun.__init__
      ~GmxMdrun.to_subprocess
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~GmxMdrun.EXECUTABLE_PATH
      ~GmxMdrun.SUBPROGRAM
      ~GmxMdrun.default_file_name
      ~GmxMdrun.edr_file_path
      ~GmxMdrun.executable_path
      ~GmxMdrun.n_omp_threads_per_mpi_rank
      ~GmxMdrun.n_ranks_pme
      ~GmxMdrun.n_thread_mpi_ranks
      ~GmxMdrun.rerun_traj_file_path
      ~GmxMdrun.tpr_file_path
      ~GmxMdrun.traj_file_path