AMBER Archive (2004)

Subject: Re: AMBER: ESPGEN problems to read G03 output files

From: FyD (fyd_at_u-picardie.fr)
Date: Fri Nov 05 2004 - 13:56:52 CST

> 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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu