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Initialization Block in Pele++ control fileΒΆ

Contents:

  • General description
    • Location
    • Options and parameters
    • Open Force Field
  • Complex Block in Pele++ control file
    • Location
    • Options and parameters
  • Additional features in control file using MPI
    • Loading multiple PDBs
  • Solvent Block in Pele++ control file
    • Location
    • Options and parameters

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  • Initialization Block in Pele++ control file
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