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Streamline methods of generating initial LAMMPS files #6

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Streamline methods of generating initial LAMMPS files#6
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enhancementNew feature or request
@bctapia

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@bctapia
bctapia
opened on Jul 20, 2024
  • Add charges from a supplied PyRed-generated file (for both UA and AA systems) to a LAMMPS data file
  • TopoTools writing of LAMMPS data from a file

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