sponge
=======

This option controls the details of calling Sponge molecular dynamics (MD) simulation program. 

This function is only available in GPU version.

.. contents::
   :local:

.. option:: mdin

   .. list-table::
     :stub-columns: 1
     :widths: 5 20

     * - Value
       - A file name
     * - Default
       - None

   The MD parameter file name for Sponge.

.. option:: amber_parm7

   .. list-table::
     :stub-columns: 1
     :widths: 5 20

     * - Value
       - A file name
     * - Default
       - None

   The topology and force field parameters of the system in AMBER format.

.. option:: amber_rst7

   .. list-table::
     :stub-columns: 1
     :widths: 5 20

     * - Value
       - A file name
     * - Default
       - None

   The initial coordinates of the system in AMBER format.

.. option:: mdout

   .. list-table::
     :stub-columns: 1
     :widths: 5 20

     * - Value
       - A file name
     * - Default
       - None

   The MD simulation log.

.. option:: rst

   .. list-table::
     :stub-columns: 1
     :widths: 5 20

     * - Value
       - A file name
     * - Default
       - None

   The output coordinate system.

.. option:: crd

   .. list-table::
     :stub-columns: 1
     :widths: 5 20

     * - Value
       - A file name
     * - Default
       - None

   The output MD trajectory.