Dear Jason,
Sorry to bother you a bit more. I set the Path to AMBERHOME right (in
.bashrc) and the job seems to start running but stopped with this error
File MAKE_CRD is not found
I you do not mind can you log on my account (details below)
ssh [1]msoliman.sun.chpc.ac.za
password pass1234
My job scripts and files are in the following directory
/scratch/Amber/glycosidase_work/binding_energies/wild/pbsa
We installed Amber in this directory and this should be AMBERHOME
Amber directory is (if you cd the following directory)
/export/home/nmonama/amber/
I would be much appreciated if you can figure out this problem
Best wishes
Mahmoud
On 4/2/11 9:01 PM, Jason Swails wrote:
echo $AMBERHOME
--
*************************************************
Mahmoud E. Soliman
Computational Chemistry & Modeling (PhD)
Department of Chemistry
University of Bath
Bath
BA2 7AY
United Kingdom
[2]
http://people.bath.ac.uk/mess20/
[3]
http://www.bath.ac.uk/person/812559
*********************************************
Mahmoud E. Soliman
Lecturer of pharmaceutical organic chemistry
Pharmaceutical Organic Chemistry Dept.
Faculty of pharmacy
Zagazig University
Zagazig
Egypt
**********************************************
Email:
[4]mess20.bath.ac.uk
[5]meelkot.zu.edu.eg
[6]mahmoudelkot.gmail.com
References
1. mailto:msoliman.sun.chpc.ac.za
2.
http://people.bath.ac.uk/mess20/
3.
http://www.bath.ac.uk/person/812559
4. mailto:mess20.bath.ac.uk
5. mailto:meelkot.zu.edu.eg
6. mailto:mahmoudelkot.gmail.com
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Received on Sat Apr 02 2011 - 16:00:02 PDT
