NonBonded LennardJones schema ============================= A full description of the overall NonBonded LennardJones model. Required Keys ------------- The following properties are required for the NonBonded LennardJones specification. +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ | Key Name | Description | Field Type | +=================================================================================================+==========================================================================================================================+==================================================================================+ | epsilon | The epsilon (well depth) Lennard-Jones parameter. Default unit is kJ/mol. | array[number] | +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ | sigma | The distance at which the Lennard-Jones potential is 0. Default unit is angstroms. | array[number] | +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ Optional Keys ------------- The following keys are optional for the NonBonded LennardJones specification. +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ | Key Name | Description | Field Type | +=================================================================================================+==========================================================================================================================+==================================================================================+ | epsilon_units | Units for the Lennard-Jones epsilon (well depth) constant. | string | +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+ | sigma_units | Units for the Lennard-Jones sigma constant. | string | +-------------------------------------------------------------------------------------------------+--------------------------------------------------------------------------------------------------------------------------+----------------------------------------------------------------------------------+