{
"name": "SeedPicker.in",
"Topology" : "path/to/topology/file.prmtop",
"groups" : {
"Inactive" : {
"trajs" : ["path/to/traj1.nc","path/to/traj2.nc","path/to/traj3.nc"],
"crystal" : "3eml.pdb"
},
"Intermediate" : {
"trajs" : ["path/to/traj4.nc","path/to/traj6.nc","path/to/traj9.nc"],
"crystal" : "4ug2.pdb"
},
"active" : {
"trajs" : ["path/to/traj19.nc","path/to/traj10.nc","path/to/traj11.nc"],
"crystal" : "path/to/traj19.nc"
}
}
}
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Package for protein structure manipulation.
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