Dear Sir/Madam,
I face the same problem too, I only got the window version of gaussian.
Do you think we can use the window version of gaussian/gamess to finished
the electrostatic calculations first, and ftp the output file to linux
workstations which with RED installed, so that it can do the mapping and
calculate the partial charges for each atom for us? Is it possible to be
done?
Best regards,
Annie
>From: FyD <fyd.u-picardie.fr>
>Reply-To: amber.scripps.edu
>To: amber.scripps.edu
>Subject: Re: AMBER: R.E.D II
>Date: Mon, 03 Jul 2006 08:39:20 +0200
>
>Quoting Franck_Vendeix.ncsu.edu:
>
> > I would like to know if it is possible to use PC GAMESS (instead of
> > GAMESS) with R.E.D II? If yes, what are the changes to be made in R.E.D
>II
> > to work with PC GAMESS.
>
>For the moment no. Sorry. However, I wanted to try to implement this since
>PC-GAMESS present many functionalities...
>
>Since the input format is the same this should not be that difficult.
>Obviously, you have to use the LINUX version (under wine I guess) and not
>the
>windows version...
>
>If you agree to discuss with me in private about that, we could try to code
>that
>together and this new feature would be added in R.E.D. III
>
>regards, Francois
>
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Received on Wed Jul 05 2006 - 06:07:11 PDT
