AMBER Archive (2006)

Subject: Re: AMBER: ESP calculations.

From: Ken Merz (merz_at_qtp.ufl.edu)
Date: Tue May 30 2006 - 06:55:24 CDT

On May 30, 2006, at 6:10 AM, a a wrote:

> Dear Sir/Madam,
>
> I am trying to get the atomic charges for a inorganic complex with
> R.E.D., but I only got a window version of gaussian03. however,
> R.E.D only compatible with Unix/linux OS. It seems to me that I
> cannot use R.E.D. to get the atomic charges directly.
>
> Is it possible for me to run ESP calculations in window with
> gaussian to get the gaussian output file, and then transfer the
> output file to linux workstations to run the espgen directly?
>
> Best regards,
>
> aa
>
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Professor Kenneth M. Merz, Jr.
Department of Chemistry
Quantum Theory Project
2328 New Physics Building
PO Box 118435
University of Florida
Gainesville, Florida 32611-8435

e-mail: merz_at_qtp.ufl.edu
http://www.qtp.ufl.edu/~merz

Phone: 352-392-6973
FAX: 352-392-8722
Cell: 814-360-0376

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