Re: [AMBER] developing amber force field

From: InSuk Joung <i.joung.gmail.com>
Date: Thu, 8 Apr 2010 21:44:14 -0400

I am not sure how basic stuffs you want. But, in order to understand AMBER
force field, it is a good start to read the paper about FF94 (Cornell et al.
JACS 117, 5179). For small molecules, you can search articles with the
keyword, GAFF(General AMBER force field). See Wang et al. J comput chem
25,1157.
Good luck!

On Thu, Apr 8, 2010 at 3:46 PM, Necmettin Pirinccioglu <pirincn.dicle.edu.tr
> wrote:

> I am interested in developing force field parameters for some small organic
> and
> organo-metalic compounds. I have searched the literature and internet
> including amber
> archive but I did not find any basic source regarding how the amber force
> fields are
> developed from scratch.
> I would be glad if you could provide such a source.
> Best wishes
> Necmettin
> ---------------------------------------
> Necmettin Pirinccioglu
> Professor of Organic Chemistry
> Department of Chemistry
> University of Dicle
> e-mail. pirincn at dicle dot edu dot tr
> phone. +90 (0412) 2488550 (ext. 3055)
> ----------------------------------------------
>
>
>
>
>
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>



-- 
Best,
InSuk Joung
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Received on Thu Apr 08 2010 - 19:00:05 PDT
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