Thank you!
I'll have a try.
Best wishes
Yuan Min
> -----原始邮件-----
> 发件人: "Bill Ross" <ross.cgl.ucsf.edu>
> 发送时间: 2017-11-29 16:05:41 (星期三)
> 收件人: amber.ambermd.org
> 抄送:
> 主题: Re: [AMBER] how to generate the force fied file of AsO3H3?
>
> Maybe you can adapt GAFF params.
>
> http://ambermd.org/antechamber/gaff.html
>
> Bill
>
>
> On 11/28/17 11:50 PM, minyuan.mail.ustc.edu.cn wrote:
> > Hi,
> >
> > I want to put a small molecule (AsO3H3) into a peptide PDB file.
> > I can calculate and optimize AsO3H via Gaussian or DMol3.
> >
> > But how to generate the force fied file of AsO3H3?
> >
> > What I find is the tutorials about protein containing Fe AND Zn.
> > It still not very clear to me.
> >
> > Looking forward to hear your reply soon.
> >
> > Best wishes
> > Yuan Min
> >
> >
> > minyuan.mail.ustc.edu.cn
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>
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Received on Wed Nov 29 2017 - 03:00:02 PST
