MM calculations done in guussian

[复制链接 Copy URL]

Abhijit@123

6 帖子	0 威望	50 eV

积分: 56

Level 2 能力者

发消息 Send PM

电梯直达 Go to

楼主

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

|倒序浏览 Reverse view |阅读模式 Reading model

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?

收藏 Add to favorites0

回复 Reply

举报 Report

返回列表 Return

		自动登录 Automatic login	找回密码 Forget password
密码 Password			注册 Register

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

浏览过的版块