> I am new to Amber and I've been trying to set up a topology file for an
> organic molecule. I have done some QM calculations with gaussian to
> obtain the ESP point charges. After getting the gaussian output file I
> tried to extract the EPS charges using ESPGEN, unfortunately the
> program doesn't seem to work, it just does not generate nothing nor it
> gives any errors.
All is done automatically in R.E.D. see
http://www.u-picardie.fr/labo/lbpd/RED/
Francois
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Received on Fri Nov 05 2004 - 20:53:00 PST
