Thank you!
minyuan.mail.ustc.edu.cn
From: Pengfei Li
Date: 2017-11-22 07:44
To: AMBER Mailing List
Subject: Re: [AMBER] Does amber16 support gaussian16?
> On Nov 21, 2017, at 9:37 AM, 闵媛 <minyuan.mail.ustc.edu.cn> wrote:
>
> Thank you for your reply.
> I mean the QM calculations involved parts.
> 1. Learning the tutorial "heme enzyme building", I used gaussian16.
I don’t have g16 access, so I don’t know what is the answer. Someone asked me this question before and I suggested him to have a try. I have not heard back from him yet. I will tell you after hearing back from him.
> 2. For QM/MM, does amber16 support g16?
>
I don’t know the answer. Andy and his co-workers developed the QM/MM interface with Gaussian.
Andy, does AMBER16 supports g16?
Kind regards,
Pengfei
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Received on Wed Nov 22 2017 - 02:30:03 PST
