A long, long time ago in a land far, far away I implemented MNDO,
AM1, and PM3 in GAMESS. This was done by taking chunks of code from
MOPAC that contained contained the parameters, integral code, and Fock
matrix builder. In doing so, I never noticed that the parameter file
contained more parameters than where published in the papers describing
the method. This conundrum came back to haunt us recently as we're
trying to implement PM6.
Read the rest of the post over at Proteins and Wave Functions
Read the rest of the post over at Proteins and Wave Functions
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