AMBER Archive (2006)

Subject: Re: AMBER: ESP calculations.

From: FyD (fyd_at_u-picardie.fr)
Date: Tue May 30 2006 - 06:15:31 CDT

Quoting a a <patd_2_at_hotmail.com>:

> 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.

You could use GAMESS under UNIX...

> 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 to run the windows version of Gaussian under Wine and Linux ?

> 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?

I guess yes. Did you try it ?

regards, Francois
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