Re: [AMBER] residue topology files

From: case <>
Date: Wed, 26 Jan 2011 09:46:09 -0500

On Wed, Jan 26, 2011, Baptiste Legrand wrote:
> Where can I find the residue topology files? I have a molecule with a
> guanidinium which don't seem to be well parametrize with antechamber. It
> could be helpful to have a look on the ARG guanidinium parameters. Thanks.

Look in $AMBERHOME/dat/leap/{parm,prep}. You can find out what atom types
Amber uses from the file, and get the parameters corresponding
to those atom types from the parm99.dat file.

...good luck....dac

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Received on Wed Jan 26 2011 - 07:00:10 PST
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