MM calculations done in guussian

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发表于 Post on 2024-12-28 15:20:35 | 只看该作者 Only view this author 回帖奖励

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I am struggling with calculations for quantum mechanics/molecular mechanics (QM/MM) using Gaussian ONIOM. I can run the program and get correct results for a single molecule in the gas phase, but I'm having trouble with the QM/MM setup. It seems that the program is unable to recognize certain elements. Can anyone help me with this issue?

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[Gaussian/gview] DUSHIN program running for QM/MM calculations done in guussian

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