Thanks David. Is a there a new URL to check the format? this one
http://amber.scripps.edu/formats.html#parm.dat seems down.
Baptiste
2011/1/26 case <case.biomaps.rutgers.edu>
> 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 - 08:00:05 PST
