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Evangelos Voyiatzis
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.. index:: angle_style cosine/squared/restricted
angle_style cosine/squared/restricted command
==================================
Syntax
""""""
.. code-block:: LAMMPS
angle_style cosine/squared/restricted
Examples
""""""""
.. code-block:: LAMMPS
angle_style cosine/squared/restricted
angle_coeff 2*4 75.0 100.0
Description
"""""""""""
The *cosine/squared/restricted* angle style uses the potential
.. math::
E = K [\cos(\theta) - \cos(\theta_0)]^2 / \sin^2(\theta)
, which is commonly used in the MARTINI force field,
where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K`
is a prefactor. Note that the usual 1/2 factor is included in :math:`K`.
See :ref:`(Bulacu) <restricted-Bulacu>` for a description of the restricted angle for the MARTINI force field.
The following coefficients must be defined for each angle type via the
:doc:`angle_coeff <angle_coeff>` command as in the example above, or in
the data file or restart files read by the :doc:`read_data <read_data>`
or :doc:`read_restart <read_restart>` commands:
* :math:`K` (energy)
* :math:`\theta_0` (degrees)
:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians
internally.
----------
Restrictions
""""""""""""
This angle style can only be used if LAMMPS was built with the
EXTRA-MOLECULE package. See the :doc:`Build package <Build_package>` doc page
for more info.
Related commands
""""""""""""""""
:doc:`angle_coeff <angle_coeff>`
Default
"""""""
none
----------
.. _restricted-Bulacu:
**(Bulacu)** Bulacu, Goga, Zhao, Rossi, Monticelli, Periole, Tieleman, Marrink, J Chem Theory Comput, 9, 3282-3292
(2013).