标题: DUSHIN program running for QM/MM calculations done in guussian [打印本页] 作者Author: Abhijit@123 时间: 2024-12-28 15:20 标题: DUSHIN program running for QM/MM calculations done in guussian
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?