Re: [AMBER] simulate free metal ion, which is not included in $AMBERHOME/dat/leap/lib/atomic_ions.lib

From: Pengfei Li <ambermailpengfei.gmail.com>
Date: Wed, 13 Dec 2017 10:54:52 -0600

Hi Yuan,

I have replied another email you sent to you about this issue. Hope it can solve your problem.

Kind regards,
Pengfei

> On Dec 12, 2017, at 9:11 PM, MinYuan <minyuan.mail.ustc.edu.cn> wrote:
>
> Hi,
>
> I want to simulate free metal ion, which is not included in $AMBERHOME/dat/leap/lib/atomic_ions.lib.
> Is there any way to deal with it?
> The tutorial here doesn't work. http://ambermd.org/tutorials/advanced/tutorial20/nonbonded_model.html
>
> Looking forward to hear your help.
>
> Best wishes
> Yuan Min
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Received on Wed Dec 13 2017 - 09:00:03 PST
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