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.. _diff:
diff
====
.. todo:: This command has not yet been ported to the *new APBS syntax* (see :ref:`new_input_format`).
Specify the diffusion coefficients for each molecule in the system for a PB-(S)AM Brownian dynamics calculation.
.. code-block:: bash
diff {type} {dTrans} {dRot}
``type``
a string indicating the molecule dynamics type
``stat``
Stationary.
``rot``
Object is fixed but rotates
``move``
Object moves and rotates.
``dTrans``
Translational diffusion coefficient in units of Å\ :sup:`2` ps\ :sup:`-1`.
Used only with the ``move`` keyword.
``dRot``
Rotational diffusion coefficient.
Used with the ``move`` and ``rot`` keywords.
.. todo::
What are the units for ``dRot``?
Documented as https://github.com/Electrostatics/apbs/issues/486
.. note::
The order of these keywords is expected to be identical to the order of the molecules in the READ section.
.. todo::
Add a ``mol id`` flag rather than have an implicit ordering of the ``diff`` keywords.
Documented in https://github.com/Electrostatics/apbs/issues/487
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