Re: [AMBER] Any parameters for Mg2+?

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 2 Jul 2010 10:28:41 -0400

They should be loaded automatically when you source leaprc.ff99SB or
something of the like. It is called MG2. Use "list" in leap to get a list
of available residues and see if MG2 is available.

Good luck!
Jason

On Fri, Jul 2, 2010 at 5:30 AM, Catein Catherine <askamber23.hotmail.com>wrote:

>
> Dear Sir/Madam,
>
>
>
> I could like to run a MD for a protein with Mg2+ playing an important role.
> Could you mind to let me know if there are any force field parameters
> available for Mg2+?
>
>
>
> Best regards,
>
>
>
> Catherine.
>
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-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Fri Jul 02 2010 - 07:30:09 PDT
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