AMBER Archive (2005)

Subject: Re: AMBER: RED: extra variable definition

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Tue Nov 22 2005 - 03:08:32 CST


Dear Francois,
   The solution that you gave me kills GAMESS for some reason ....
   There is a simple solution that I wanted to avoid but that works fine
and I guess I will go on like that .. I just set $rungms="./rungms" and
$scrpath="./scratch"....I wanted to avoid this because I am trying to
set up RED+GAMESS such as to be used by all my department .... and I
thought that it is better to define a $WORKDIR and then introduce some
warnings in case ./scratch is not found or ./rumgms is not found .....
But I did that by building a RED-vII.sh file which executes RED only if
./rungms and ./scratch are present ....
   Now everything works fine ...thanks for help anyway ...

Best
vlad

-- 

Dr. Vlad Cojocaru EML Research gGmbH Molecular and Cellular Modeling Group Villa Bosch Schloss-Wolfsbrunnenweg 33 69118 Heidelberg Germany Phone: +49-6221-533266 Fax: +49-6221-533298 e-mail: Vlad.Cojocaru_at_eml-r.villa-bosch.de <mailto:Vlad.Cojocaru_at_eml-r.villa-bosch.de> Additional info: my home page <http://projects.villa-bosch.de/mcm/people/cojocaru/>

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