Thanks for the speedy response!
I have seen this page before and looked through it, however I've found it not very instructive in terms of syntax. Suggestions on other places to look?
Thanks again,
Jonathan Huihui
Graduate Student, University of Denver
Department of Physics & Astronomy
http://portfolio.du.edu/jhuihui2
________________________________
From: David Cerutti <dscerutti.gmail.com>
Sent: Wednesday, December 21, 2016 12:57:51 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Force field modifications
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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Dec 22 2016 - 03:30:03 PST
