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Studer Gabriel authoredStuder Gabriel authored
settings.rst 8.29 KiB
The Molecular Mechanis Settings
The :class:`Settings` define all parameters to control the buildup of a :class:`Topology` in the :class:`TopologyCreator` and the final setup of the :class:`Simulation` object.
Can be used to define exceptions from the standard assignments assigned in the :class:`Forcefield`.