Re: [AMBER] how does frcmod work specifially. rdparm

From: David A Case <>
Date: Wed, 11 Apr 2012 10:12:57 -0400

On Wed, Apr 11, 2012, Knips, Alexander wrote:

> I am actually still confused on how the forcefield modifications in
> AMBER work specifically.
> In my case I have a nucleic structure and changed a specific
> residue. Lets call it YYY. For this residue I implemented he specific
> forcefield modifications according to a paper.
> For example an angle parameter like C -N -C is changed in my YYY.frcmod
> file. Now I still don't understand whether the YYY.frmod changed the
> angle parameter for all residues or just for the previously unknown YYY
> residue.

A frcmod file has information about atom types and parameters. Any atoms
with matching atom types (no matter in what residue) will get the new
parameters. The fact that the file is called "YYY.frcmod" is irrelevant.


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Received on Wed Apr 11 2012 - 07:30:06 PDT
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