Re: [AMBER] How to calculate the parameters of metal ions?

From: Ken Merz <kmerz1.gmail.com>
Date: Thu, 31 Jul 2014 10:36:39 -0400

Hi,
 You can use MCPB as outlined in the following tutorial:

http://ambermd.org/tutorials/advanced/tutorial20/

Good luck!

Kennie

On Jul 31, 2014, at 9:58 AM, Jinfeng Huang <wwsshhjjff00.163.com> wrote:

> Dear Amber Users,
>
>
> I am simulating a protein with Co2+ at the active site. I have tried to search for the parameters that someone have released, but I found nothing. Herein, I hope you can provide me a strategy to solve the problem.
> Any help is greatly appreciated. Thank you!
>
> Jingfeng Huang
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber


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Received on Thu Jul 31 2014 - 08:00:02 PDT
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