mstk.wrapper.GMX
================

.. currentmodule:: mstk.wrapper

.. autoclass:: GMX

   
   
   .. rubric:: Methods

   .. autosummary::
   
      ~GMX.__init__
      ~GMX.density
      ~GMX.diffusion
      ~GMX.energy
      ~GMX.extend_tpr
      ~GMX.generate_gpu_multidir_cmds
      ~GMX.generate_top
      ~GMX.generate_top_for_hvap
      ~GMX.get_box
      ~GMX.get_fluct_props
      ~GMX.get_properties_stderr
      ~GMX.get_property_stderr
      ~GMX.get_top_mol_numbers
      ~GMX.grompp
      ~GMX.mdrun
      ~GMX.modify_lj96
      ~GMX.modify_top_mol_numbers
      ~GMX.pdb2gro
      ~GMX.prepare_mdp_from_template
      ~GMX.replicate_gro
      ~GMX.scale_box
      ~GMX.select_com
      ~GMX.traj_com
      ~GMX.velacc