{
    "id": "grompp",
    "description": "Wrapper of the GROMACS grompp module.",
    "arguments": [
        {
            "id": "config",
            "required": false,
            "description": "Configuration file for the grompp tool",
            "filetype": "input",
            "sample": "https:\/\/raw.githubusercontent.com\/bioexcel\/biobb_md\/master\/biobb_md\/test\/data\/config\/config_grompp.json",
            "formats": [
                ".*\\.json$",
                ".*\\.yml$",
                ".*\\.yaml$"
            ]
        },
        {
            "id": "input_gro_path",
            "required": true,
            "description": "Path to the input GROMACS structure GRO file",
            "filetype": "input",
            "sample": "https:\/\/github.com\/bioexcel\/biobb_md\/raw\/master\/biobb_md\/test\/data\/gromacs\/grompp.gro",
            "formats": [
                ".*\\.gro$"
            ]
        },
        {
            "id": "input_top_zip_path",
            "required": true,
            "description": "Path to the input GROMACS topology TOP and ITP files in zip format",
            "filetype": "input",
            "sample": "https:\/\/github.com\/bioexcel\/biobb_md\/raw\/master\/biobb_md\/test\/data\/gromacs\/grompp.zip",
            "formats": [
                ".*\\.zip$"
            ]
        },
        {
            "id": "output_tpr_path",
            "required": true,
            "description": "Path to the output portable binary run file TPR",
            "filetype": "output",
            "sample": "https:\/\/github.com\/bioexcel\/biobb_md\/raw\/master\/biobb_md\/test\/reference\/gromacs\/ref_grompp.tpr",
            "formats": [
                ".*\\.tpr$"
            ]
        },
        {
            "id": "input_cpt_path",
            "required": false,
            "description": "Path to the input GROMACS checkpoint file CPT",
            "filetype": "input",
            "sample": null,
            "formats": [
                ".*\\.cpt$"
            ]
        },
        {
            "id": "input_ndx_path",
            "required": false,
            "description": "Path to the input GROMACS index files NDX",
            "filetype": "input",
            "sample": null,
            "formats": [
                ".*\\.ndx$"
            ]
        },
        {
            "id": "input_mdp_path",
            "required": false,
            "description": "Path to the input GROMACS MDP file",
            "filetype": "input",
            "sample": null,
            "formats": [
                ".*\\.mdp$"
            ]
        }
    ]
}