DihedralsMeasure ---------------- The DihedralsMeasure step calculates and records the dihedral angles for specified sets of four particles over time. Output format: .. code-block:: # Step 1 dihedral1 dihedral2 dihedral3 ... # Step 2 dihedral1 dihedral2 dihedral3 ... # Step 3 dihedral1 dihedral2 dihedral3 ... ... ---- * **type**: ``ParticlesListMeasure``, ``DihedralsMeasure`` * **parameters**: * ``outputFilePath``: ``string``: Path to the output file * **data**: * ``id_i``: ``int``: ID of the first particle in the dihedral * ``id_j``: ``int``: ID of the second particle in the dihedral * ``id_k``: ``int``: ID of the third particle in the dihedral * ``id_l``: ``int``: ID of the fourth particle in the dihedral Example: .. code-block:: "dihedralsMeasure":{ "type":["ParticlesListMeasure","DihedralsMeasure"], "parameters":{ "intervalStep": 10000, "outputFilePath": "dihedrals.dat" }, "labels":["id_i", "id_j", "id_k", "id_l"], "data":[ [1, 2, 3, 4], [2, 3, 4, 5], [3, 4, 5, 6] ] } .. note:: The output file will contain the step number and the dihedral angle for each specified set of four particles. .. tip:: This measure is particularly useful for analyzing the conformational changes of molecules, such as protein backbone dihedrals or torsion angles in polymers.