{
    "id": "pdb2gmx",
    "description": "Wrapper class for the GROMACS pdb2gmx module.",
    "arguments": [
        {
            "id": "config",
            "required": false,
            "description": "Configuration file for the pdb2gmx tool",
            "filetype": "input",
            "sample": "https:\/\/raw.githubusercontent.com\/bioexcel\/biobb_md\/master\/biobb_md\/test\/data\/config\/config_pdb2gmx.json",
            "formats": [
                ".*\\.json$",
                ".*\\.yml$",
                ".*\\.yaml$"
            ]
        },
        {
            "id": "input_pdb_path",
            "required": true,
            "description": "Path to the input PDB file",
            "filetype": "input",
            "sample": "https:\/\/github.com\/bioexcel\/biobb_md\/raw\/master\/biobb_md\/test\/data\/gromacs\/egfr.pdb",
            "formats": [
                ".*\\.pdb$"
            ]
        },
        {
            "id": "output_gro_path",
            "required": true,
            "description": "Path to the output GRO file",
            "filetype": "output",
            "sample": "https:\/\/github.com\/bioexcel\/biobb_md\/raw\/master\/biobb_md\/test\/reference\/gromacs\/ref_pdb2gmx.gro",
            "formats": [
                ".*\\.gro$"
            ]
        },
        {
            "id": "output_top_zip_path",
            "required": true,
            "description": "Path the output TOP topology in zip format",
            "filetype": "output",
            "sample": "https:\/\/github.com\/bioexcel\/biobb_md\/raw\/master\/biobb_md\/test\/reference\/gromacs\/ref_pdb2gmx.zip",
            "formats": [
                ".*\\.zip$"
            ]
        }
    ]
}