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I would like to try QM/MM calculations in BAGEL using the Tinker interface, but the documentation only briefly mentions the tinker keyword. Could you please provide a simple example input file that demonstrates how to set up a QM/MM job?
I would like to try QM/MM calculations in BAGEL using the Tinker interface, but the documentation only briefly mentions the tinker keyword. Could you please provide a simple example input file that demonstrates how to set up a QM/MM job?