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Julien Steffen edited this page May 3, 2023 · 1 revision

**2QMDFF [prefix1] [prefix2] **

If qmdffgen is called with a keyfile, the prefix of the QM reference for two QMDFFs is given.

Depending on the used software package, the following files must be present:

  • Orca: prefix.log and prefix.hess
  • Gaussian: prefix.out and prefix.chk, as well as the formchk utility program from Gaussian in the PATH variable
  • CP2K: prefix.out
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