You should continue to send these to the amber list, since I'm not the most
experienced with these scripts.
All the best,
Jason
On Sat, Apr 2, 2011 at 3:44 PM, Mahmoud Soliman <mahmoudelkot.gmail.com>wrote:
>
> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sat Apr 02 2011 - 16:30:02 PDT
