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Meta.json
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Meta.json
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{
"walkers" : 1,
"input" : "in.ADP_Test",
"CVs": [
{
"periodic": true,
"type": "Torsional",
"atom_ids": [
5,
7,
9,
15
]
},
{
"periodic": true,
"type": "Torsional",
"atom_ids": [
7,
9,
15,
17
]
}
],
"methods" : [
{
"type" : "Metadynamics",
"widths" : [
0.05,
0.05
],
"height" : 0.5,
"lower_bounds" : [-3.14, -3.14],
"upper_bounds" : [3.14, 3.14],
"lower_bound_restraints" : [0, 0],
"upper_bound_restraints" : [0, 0],
"hill_frequency" : 500
}
]
}