.. _chap-md:

Performing Molecular Dynamics With a Machine Learning Potential
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The mlmd also performs molecular dynamics (MD) simulations, the ensemble for MD is the NVT, the implementation uses a Nose thermostat.
To do MD with the *mlmd_* script you need: 

	1) A machine learning potential also known as mlp ( :ref:`chap-mlp` )
	
	2) A structure file ( :ref:`chap-stru_file` )
	
	3) An md file ( :ref:`chap-md_file` )

To perform the MD, type in the terminal: ::

	mlmd_ -mode 'perform_md' -potential_dir 'path_to_mlp' -structure_file 'path_to_structure_file' -md_file 'path_to_md_file'