[AMBER] Force field modifications

From: Jonathan Huihui <Jonathan.Huihui.du.edu>
Date: Wed, 21 Dec 2016 19:48:58 +0000

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

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Received on Wed Dec 21 2016 - 12:00:02 PST
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