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release-0.7.1
  • 1. Quick installation instructions for MDPOW
  • 2. mdpow — Computing the octanol/water partitioning coefficient
  • 3. The mdpow-* scripts
  • 4. mdpow.equil — Setting up and running equilibrium MD
  • 5. mdpow.fep – Calculate free energy of solvation
  • 6. Helper modules
  • 7. Force field selection
MDPOW
  • Docs »
  • Overview: module code

All modules for which code is available

  • mdpow.config
  • mdpow.equil
  • mdpow.fep
  • mdpow.forcefields
  • mdpow.restart
  • mdpow.run

© Copyright 2010–2021, Shujie Fan, Ian Kenney, Alia Lescoulie, Bogdan Iorga, and Oliver Beckstein Revision 9c5b966b.

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