BestChenHummerAngular --------------------- The BestChenHummerAngular potential is a specialized angular potential developed by Best, Chen, and Hummer for protein modeling [BestChenHummer]_. It combines two Gaussian-like terms to create a potential with two minima. .. math:: U = -\frac{1}{\gamma} \ln \left( e^{-\gamma(k_\alpha(\theta-\theta_\alpha)^2 + \epsilon_\alpha)} + e^{-\gamma k_\beta(\theta-\theta_\beta)^2} \right) where: * :math:`\gamma`, :math:`k_\alpha`, :math:`k_\beta`, :math:`\theta_\alpha`, :math:`\theta_\beta`, and :math:`\epsilon_\alpha` are constants defined in the potential * :math:`\theta` is the current angle between the three particles ---- * **type**: ``Bond3``, ``BestChenHummerAngular`` * **parameters**: ``None`` * **data**: * ``id_i``: ``int``: Id of the first particle * ``id_j``: ``int``: Id of the central particle * ``id_k``: ``int``: Id of the third particle Example: .. code-block:: "bestChenHummerAngularBonds":{ "type":["Bond3","BestChenHummerAngular"], "parameters":{}, "labels":["id_i", "id_j", "id_k"], "data":[[0, 1, 2], [1, 2, 3], [2, 3, 4]] } .. warning:: The potential parameters are hardcoded in the potential implementation (taken from [BestChenHummer]_). The potential is only defined for KcalMol_A units, if other units are selected an error will be raised. .. [BestChenHummer] Best, Robert B., Yng-Gwei Chen, and Gerhard Hummer. "Slow protein conformational dynamics from multiple experimental structures: the helix/sheet transition of arc repressor." Structure 13, no. 12 (2005): 1755-1763.