PoreSim 0.2
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        • Topology._itp
          • Topology._itp()
    • Topology._itp
      • Topology._itp()
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    Topology._itp¶

    Topology._itp(link, charge)¶

    Create an itp file from a GROMACS topology contain everything except

    • defaults

    • atomtypes

    • system

    • molecules

    Parameters:
    linkstring

    Topology file link

    chargeNone, float

    Silicon charge for pore grid molecules

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    © Copyright 2023, Hamzeh Kraus.
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