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 all_amino94.in 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
