IDP_Fourier ----------- The IDP_Fourier potential is a specialized dihedral potential designed for modeling Intrinsically Disordered Proteins (IDPs) [Smith2015]_ . .. math:: U = \sum_{s=1}^4 [A_s \cos(s\phi) + B_s \sin(s\phi)] where :math:`A_s` and :math:`B_s` are coefficients determined from simulations of IDPs. ---- * **type**: ``Bond4``, ``IDP_Fourier`` * **parameters**: ``None`` * **data**: * ``id_i``: ``int``: Id of the first particle * ``id_j``: ``int``: Id of the second particle * ``id_k``: ``int``: Id of the third particle * ``id_l``: ``int``: Id of the fourth particle Example: .. code-block:: "idpFourierBonds":{ "type":["Bond4","IDP_Fourier"], "parameters":{}, "labels":["id_i", "id_j", "id_k", "id_l"], "data":[[0, 1, 2, 3], [1, 2, 3, 4], [2, 3, 4, 5]] } .. warning:: The IDP_Fourier potential uses predefined coefficients and does not require additional parameters per bond [Smith2015]_. The IDP_Fourier potential is only available in the KcalMol_A unit system.If other units are used, an error will be raised. .. [Smith2015] Smith, W. Wendell, Po-Yi Ho, and Corey S. O'Hern. "Calibrated Langevin-dynamics simulations of intrinsically disordered proteins." Physical Review E 90, no. 4 (2014): 042709.