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J. Cheminf. 2011, 3, 33

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Thermo format (tdd, therm)

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Amber Prep format (prep)

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Molecular dynamics and docking formatsΒΆ

  • Amber Prep format (prep)
    • Read Options
  • AutoDock PDBQT format (pdbqt)
    • Read Options
    • Write Options
  • DL-POLY CONFIG (CONFIG)
  • DL-POLY HISTORY (HISTORY)
  • Dock 3.5 Box format (box)
  • GRO format (gro)
    • Read Options
  • GROMOS96 format (gr96)
    • Write Options
  • LPMD format (lpmd)
    • Read Options
    • Write Options
  • MDFF format (CONTFF, MDFF, POSFF)
    • Write Options
  • MacroModel format (mmd, mmod)
  • SIESTA format (siesta)
  • The LAMMPS data format (lmpdat)
    • Write Options
  • Tinker XYZ format (txyz)
    • Read Options
    • Write Options
  • XTC format (xtc)

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