Skip to content

Latest commit

 

History

History
43 lines (24 loc) · 897 Bytes

namd.rst

File metadata and controls

43 lines (24 loc) · 897 Bytes

NAMD datasets

.. automodule:: alchemtest.namd

The :mod:`alchemlyb.namd` module features datasets generated using the NAMD molecular dynamics engine. They can be accessed using the following accessor functions:

.. currentmodule:: alchemtest.namd

.. autosummary::

   load_tyr2ala
   load_idws

.. autofunction:: alchemtest.namd.load_tyr2ala

.. autofunction:: alchemtest.namd.load_idws

.. autofunction:: alchemtest.namd.load_restarted

.. autofunction:: alchemtest.namd.load_restarted_reversed