.. _md_tut:

Molecular Dynamics Tutorials
============================

These tutorials introduce molecular dynamics (MD) in CONQUEST, though
not the topic of MD itself, for which you should consult an
appropriate textbook.

.. _md_tut_nve:

Molecular dynamics: NVE
-----------------------

* Parameters that are needed
* The output
* Files in ``MD_1``

.. _md_tut_nvt_svr:

Molecular dynamics: NVT with SVR
--------------------------------

* Parameters that are needed
* The output
* Files in ``MD_2``

.. _md_tut_nvt_nhc:

Molecular dynamics: NVT with Nose-Hoover chains
-----------------------------------------------

* Parameters that are needed
* The output
* Files in ``MD_3``

.. _md_tut_npt_svr_pr:

Molecular dynamics: NPT with SVR and Parrinello-Rahman
------------------------------------------------------

* Parameters that are needed
* The output
* Files in ``MD_4``

.. _md_tut_npt_nhc:

Molecular dynamics: NPT with Nose-Hoover chains
-----------------------------------------------

* Parameters that are needed
* The output
* Files in ``MD_5``

.. _md_tut_cont:

Molecular dynamics: Continuing a run
------------------------------------

* Parameters that are needed
* The output
* Files in ``MD_6``