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config.json
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{
"step8_genion": [
{
"src": "genion_top.zip",
"dst": "biobb.MDsetup.top.zip"
}
],
"step15_grompp_md": [
{
"src": "gppmd.tpr",
"dst": "biobb.MDsetup.tpr"
}
],
"step16_mdrun_md":[
{
"src": "md.gro",
"dst": "biobb.MDsetup.gro"
},
{
"src": "md.cpt",
"dst": "biobb.MDsetup.cpt"
}
],
"step18_image2": [
{
"src": "md.imaged.rot.trr",
"dst": "biobb.MDsetup.trr"
}
],
"step20_energy": [
{
"src": "setup.energy.xvg",
"dst": "biobb.MDsetup.energy.xvg"
}
],
"step21_rgyr": [
{
"src": "setup.rgyr.xvg",
"dst": "biobb.MDsetup.rgyr.xvg"
}
],
"step22_rmsd_first": [
{
"src": "setup.rmsd_first.dat",
"dst": "biobb.MDsetup.rmsd_first.dat"
}
],
"step23_rmsd_exp": [
{
"src": "setup.rmsd_exp.dat",
"dst": "biobb.MDsetup.rmsd_exp.dat"
}
]
}