AMBER Archive (2004)

Subject: Re: AMBER: make sure of the Magnesium parameters

From: Rhonda Torres (torres_at_scripps.edu)
Date: Wed Mar 24 2004 - 12:53:55 CST

Hi Sychen,

According to the my_parse_delphi.siz file in the mm_pbsa directory, the
radius used for Mg2+ is 0.99 and is from Biophys. J. 2001, 80, 1151.

Rhonda

On Thu, 25 Mar 2004, sychen wrote:

> Dear all,
> I'd like to make sure of the covalent bond distance of magnesium
> used in molsurf of AMBER7 to do MM-GBSA calculation, since what
> the author mentioned in JCC,2004,25,238-250. is atomic radius of Mg++.
> Is it 1.00 ?
>
> Thank you very much!
>
>
> Sincerely,
> sychen.
>
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