Re: [AMBER] Force field modifications

From: David Cerutti <dscerutti.gmail.com>
Date: Wed, 21 Dec 2016 14:57:51 -0500

The page you want is probably this:

http://ambermd.org/formats.html

The "current" ff03 being used in Amber14 should be just that--ff03. There
are updates to that force field, but they have name extensions.


On Wed, Dec 21, 2016 at 2:48 PM, Jonathan Huihui <Jonathan.Huihui.du.edu>
wrote:

> To whom this may concern,
>
> My question is with regards to the force fields developed by Robert Best
> and Jeetain Mittal - AMBER ff03ws (written in GROMACS) - in which they
> modified both the backbone torsion potential and the protein-water
> interaction.
>
> To sum up in the most simple terms: I'm having a little bit of trouble
> finding any help on writing an frcmod file to modify the current ff03 being
> used in AMBER 14.
>
>
> Also on the list of things is how to modify the water model TIP4P to the
> TIP4P2005 that they used. But I'm hoping answering my previous question
> will help get me started on that.
>
> Any help would be greatly appreciated!
>
>
>
> Thanks so much,
>
>
>
> Jonathan Huihui
>
> Graduate Student, University of Denver
>
> Department of Physics & Astronomy
>
> http://portfolio.du.edu/jhuihui2
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>
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Received on Wed Dec 21 2016 - 12:00:03 PST
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