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FAQs

I'm trying to use the Mercury-MOPAC link but keep on getting an error message: what does it mean?

Solution

If you receive an error of the type:

MOPAC job failed

Please check that you are running a correctly-installed copy of MOPAC 2007 or newer, and that the chosen Hamiltonian supports the elements in this structure.

Please ensure the following:

  • That MOPAC is installed in the default directory: C:\Program Files\MOPAC\
  • You are  using MOPAC 2007 or newer. Versions of MOPAC older than 2007 are not supported.
  • That the elements in the structure are supported by the chosen Hamiltonian, see http://openmopac.net/manual/.
  • That you are not using the PM6 Hamiltonian to calculate ESP surfaces for compounds containing elements heavier than fluorine.

If you continue to experience problems please refer to the MOPAC user manual at the URL above.​

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