Dihedrals schema ================ A full description of the overall Dihedrals model. Required Keys ------------- The following properties are required for the Dihedrals specification. +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ | Key Name | Description | Field Type | +=================================================================================================+==========================================================================================================================+==================================================================================+ | connectivity | Particle indices for each dihedral angle. | array[array] | +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ | form | Name or form of the potential. See cls.supported_potentials() for available potentials. | string | +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ | params | Specific force field parameters model. | object | +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ Optional Keys ------------- The following keys are optional for the Dihedrals specification. +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ | Key Name | Description | Field Type | +=================================================================================================+==========================================================================================================================+==================================================================================+ | angles | Equilibrium dihedral angles. Default unit is degrees. | array[number] | +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ | angles_units | Equilibrium dihedral angle units. | string | +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ | weights | Something to consider later on? Ses CHARMM dihedral_style for LAMMPS. | array[number] | +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+