AMBER: Spartan and AMBER7

From: Peter Oelschlaeger <poe.caltech.edu>
Date: Fri, 22 Aug 2003 19:52:21 -0700

Can I use Spartan instead of Gaussian to calculate partial charges of
ligands/substrates?
I mean, does Spartan give output files that are comparable to Gaussian
output files and can they be used as input files in Antechamber or Resp
or can they be converted into the respective format with e.g. respgen?

Thanks for any info, hints, experience...

Peter 

-- 
**************************************************
Peter Oelschlaeger, Ph.D.
Mayo lab, Division of Biology, Caltech
1200 E. California Blvd., mail code 114-96
Pasadena, CA 91125-9600
Phone: 	(626) 395-8085, Lab: (626) 395-6407
Fax:	(626) 440-7231
Email:	poe.caltech.edu
http://www.mayo.caltech.edu
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Received on Sat Aug 23 2003 - 04:53:01 PDT
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