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MOPAC interface
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{BACK:Interfaces} Standalone interface to MOPAC2009 replacing the respective metainterface. !Methods The interface supports multiple semiempirical methods implemented in MOPAC (selected by the ::method:: keyword): * AM1 * PM3 * PM6 * RM1 * custom (specified by ::mopac_custom_method::) !Examples ::mopac_setpi:: keyword - define double bonds between atoms 1,2 and 5,10 {{mopac_setpi: - 1;2 - 5;10 }} !Keywords * ::method:: * ::mopac_custom_method:: * ::mopac_d_corr:: - enables dispersion correction for PM6 in MOPAC * ::mopac_h_corr:: - enables hydrogen bonding correction for PM6 in MOPAC * ::mopac_keywords:: - adds additional keywords directly into MOPAC input * ::mopac_mozyme:: - enables MOZYME algorithm * ::mopac_setpi:: - manual pi bonds specification for MOZYME * ::mopac_setcharge:: - manual charge specification for MOZYME * ::start_from_previous:: * ::use_old_results:: * ::charge:: * ::multiplicity:: * ::electronic_spin::
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