{
    "M0255_1mg5_unfixed": {
        "input": "../input_pdbs/M0255_1mg5.pdb", 
        "ligand": "NAI,ACT",    
        "unindex": "A108,A139,A152,A156",
        "length": "180-200",
        "select_fixed_atoms": {
            "A108": "ND2,CG",
            "A139": "OG,CB,CA",
            "A152": "OH,CZ",
            "A156": "NZ,CE,CD",
            "ACT": "OXT",
            "NAI": ""
        }
    },
    "partial_diffusion": {
        "input": "../input_pdbs/7v11.pdb", 
        "ligand": "OQO", 
        "partial_t": 15.0,
        "contig": "A431",
        "unindex": "A572-573",
        "select_fixed_atoms": {
            "A431": "TIP",
            "A572": "BKBN",
            "A573": "BKBN"
        }
    },
    "dsDNA_basic": {
        "input": "../input_pdbs/1bna.pdb",
        "contig": "A1-10,/0,B15-24,/0,120-130",
        "length": "140-150",
        "ori_token": [24,20,10],
        "is_non_loopy": true
    }
}