Dear Steve,
> I believe the RED web site directs questions about it to be directed
> here..right? If not can you tell me where to go.
>
> Anyway, I have installed RED-vIII.4. and now I need to install
> GAMESS or GAUSSIAN. I have two questions:
You could install GAMESS-US and/or Firefly and/or Gaussian 94/98/03/09
(about gaussian09: do NOT use the B1 version)
> 1) Does RED work with G09? and the newest version of GAMESS?
YES for g09 except the version B1.
See why .
http://ambermd.org/bugfixesat.html
------------------
Gaussian 09 fix
In Gaussian09 rev B.01, the facility to write out the electrostatic
potential on a grid of points was inadvertently deleted. This means
that antechamber and resp jobs won't work as they should. Fernando
Clemente of Gaussian has kindly provided a script to work around the
problem. Download the fixreadinesp.sh file, and follow the
instructions there. (Note: you will have to make the script executable
by typing chmod +x fixreadinesp.sh.)
------------------
the newest version of GAMESS? We tested the version March 25th, 2010 R2.
If you have problems with GAMESS version October 1, 2010 R3, let me
know and we will work on it...
> 2) Does running RED (RED-vIII.4.pl) take special knowledge of GAMESS
> or GAUSSIAN? That is once GAMESS has been installed properly, does
> RED (the pearl code) utilize GAMESS or GAUSSIAN independently of me
> in the background. Thus, I don't have to set up GAMESS or GAUSSIAN
> to interface with RED???
In the source code, at the end in the main section, you can set:
$QMSOFT = "Gaussian"; to use "g09, g03, g98 or g94; the last version
detected is used; in this case Gaussian has to be obviously installed
or
$QMSOFT = "FIREFLY"; to use "Firefly" (PC-GAMESS); in this case
Firefly has to be installed
or
$QMSOFT = "GAMESS"; to use GAMESS-US or WinGAMESS; in this case
GAMESS-US or WinGAMESS has to be installed
Although old, the following manual could help you as well:
http://q4md-forcefieldtools.org/RED/RED-II.pdf
you could also read the manuals by Thomas A. D. Patko as well .
http://q4md-forcefieldtools.org/RED/documentation.php
or simply re-post new questions in case of problems ;-)
regards, Francois
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Received on Fri Jun 03 2011 - 16:00:02 PDT
