Additional features in control file using MPI

Loading multiple PDBs

In a serial execution we only have the option to load one complex.

"Complex": {
            "files": [
                {
                    "path": "complex.pdb"
                }
            ]
        }

However when we use the MPI implementation, we can load a different PDB to each explorer using the “MultipleComplex” option instead of “Complex”.

"MultipleComplex":
        [
         {
            "files":
            [
                {
                    "path":"complex1.pdb"
                }
            ]
        },
        {
            "files":
            [
                {
                    "path":"complex2.pdb"
                }
            ]
        }
       ]

If we set less PDBs than explorers, there will be explorers using the same PDBs. The PDBs are equitably distributed.