LambdaFixedHarmonicAnisotropic ------------------------------ The LambdaFixedHarmonicAnisotropic potential is a variant of the FixedHarmonicAnisotropic potential that includes a coupling parameter :math:`\lambda`, useful for free energy calculations or gradual introduction of restraints. .. math:: U = \lambda^n \left( \frac{1}{2}K_x(x - x_0)^2 + \frac{1}{2}K_y(y - y_0)^2 + \frac{1}{2}K_z(z - z_0)^2 \right) where: * :math:`\lambda` is the coupling parameter (0 ≤ :math:`\lambda` ≤ 1) * :math:`n` is the :math:`\lambda`-exponent * :math:`K_x, K_y, K_z` are the spring constants in each dimension * :math:`x, y, z` are the coordinates of the particle * :math:`x_0, y_0, z_0` are the coordinates of the fixed point ---- * **type**: ``Bond1``, ``LambdaFixedHarmonicAnisotropic`` * **parameters**: * ``n``: ``int``: :math:`\lambda`-exponent (default: 2) * **data**: * ``id_i``: ``int``: Id of the particle * ``K``: ``real3``: Spring constants in each dimension :math:`[energy]/[distance]^2` * ``r0``: ``real3``: Equilibrium distances in each dimension :math:`[distance]` * ``position``: ``real3``: Fixed point coordinates :math:`[distance]` Example: .. code-block:: "lambdaFixedHarmonicAnisotropicBonds":{ "type":["Bond1","LambdaFixedHarmonicAnisotropic"], "parameters":{"n":2}, "labels":["id_i", "K", "r0", "position"], "data":[[0, [100.0, 50.0, 75.0], [1.0, 1.0, 1.0], [0.0, 0.0, 0.0]], [1, [75.0, 100.0, 50.0], [1.0, 1.0, 1.0], [1.0, 1.0, 1.0]]] } .. note:: The :math:`\lambda` parameter is typically controlled globally for the entire simulation and is not specified per bond.