gen_lmpin
===============
Usage   
--------
.. parsed-literal::

    cg_spica gen_lmpin [:strong:`-data` :emphasis:`<datafile>`] [:strong:`-parm` :emphasis:`<parmfile>`] [:strong:`-output` :emphasis:`<output>`] [:strong:`-pspica`]

Description
-----------
``gen_lmpin`` generates a LAMMPS input file for MD simulations with the NPT ensemble using SPICA or pSPICA.
This program requires LAMMPS data and parameter files that can be generated as DATA.FILE and PARM.FILE by :doc:`setup_lmp <setup_lmp>`, respectively.
The pressure coupling scheme is given based on simulation box symmetry.

The generated input file by this command is useful to start CG-MDs using SPICA or pSPICA.
However, before running your CG-MD, please check the simulation settings in the file yourself.


Example
-------
.. code-block:: bash

    cg_spica gen_lmpin 

:download:`DATA.FILE <data/DATA.FILE>`  
:download:`PARM.FILE <data/PARM.FILE>`  

:download:`in.lammps <data/in.lammps>`  

Optional args
---------------

``-data`` <datafile> (DATA.FILE)
    LAMMPS data file generated by :doc:`setup_lmp <setup_lmp>`
``-parm`` <parmfile> (PARM.FILE)
    LAMMPS parmeter file generated by :doc:`setup_lmp <setup_lmp>`
``-output`` <string> (in.lammps)
    Output LAMMPS input file name
``-pspica`` (off)
    Generate a LAMMPS input file for pSPICA