AMBER Archive (2006)

Subject: Re: AMBER: R.E.D II

From: Franck Vendeix (franck_vendeix_at_ncsu.edu)
Date: Wed Jul 05 2006 - 09:56:24 CDT

Thanks Francois and the AMBER community! RED, GAMESS and RESP are
working fine in tandem.

On Wed, 2006-07-05 at 08:55 +0200, FyD wrote:
> Quoting Franck_Vendeix_at_ncsu.edu:
>
> > No output files were generated by Gamess when RED was executed. I think I
> > did not setup my .cshrc profile correctly. Could you please send your
> > example of .cshrc file that you use for Gamess?. I am a bit confused with
> > the example of .cshrc file given in the RED II manual p. 7.
>
> My .cshrc is written in the manual...
>
> For GAMESS and tcsh/csh SHELL, you just need to set the $PATH variable to find
> the GAMESS binaries...
>
> set path = ($path The-GAMESS-directory)
>
> Did you check your shell ? echo $SHELL
>
> > I did a mistake by replacing the ‘which rungms’ (in the RED script) by
> > the /home/franck/gamess/rungms. This is the location of the gamess
> > executable on my machine. The same mistake was made for gamess.01.x,
> > ddikick.x and resp. Hence the program verification seemed to run fine but
> > gamess (including gamess.01.x, ddikick.x etc...) was not able to be
> > executed by running RED.
>
> You should not modify the code except if you know what you do...
>
> regards, Francois
>
>
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