input.json

input.json

{
    "walkers" : 1,
    "args" : ["-v", "-deffnm", "alad_600ns"],
    "CVs" : [
                {
                    "name" : "phi",
                    "type": "Torsional",
                    "periodic" : true,
                    "atom_ids" : [5, 7, 9, 15]
                },
                {
                    "name" : "psi",
                    "type": "Torsional",
                    "periodic" : true,
                    "atom_ids" : [7, 9, 15, 17]
                }
            ],
    "methods" : [
                    {
                        "type" : "ANN",
                        "topology" : [10, 6],
                        "nsweep" : 5000,
                        "overwrite_output" : false,
                        "temperature" : 298.15,
                        "grid" : {
                            "lower" : [-3.14159265358979323846, -3.14159265358979323846],
                            "upper" : [3.14159265358979323846, 3.14159265358979323846],
                            "number_points" : [72, 72],
                            "periodic" : [true, true]
                        },
                        "lower_bounds" : [-4, -4],
                        "upper_bounds" : [4, 4],
                        "lower_bound_restraints" : [0, 0],
                        "upper_bound_restraints" : [0, 0]
                    }
                ]
}