On Tue, Dec 18, 2012, eneas.usal.es wrote:
>
> Last version of Antechamber in Ambertools 12 is able to admit jaguar
> outputs to perform resp fitting procedure of molecules.
It's pretty clear by now that no one reading this list knows the answer to
your question. You will probably have to compare the code in
$AMBERHOME/AmberTools/src/antechamber/jout.c to the actual jaguar output you
have, to see why the parser is not working.
...good luck...dac
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Received on Tue Dec 18 2012 - 06:30:04 PST
