DFTB in sqm was enabled with bugfix.8 for AmberTools 1.4. Since patch cannot deal with file permissions, the user has to set the executable flag. This is described on the bug fixes web page.
All the best,
Andy
On Aug 11, 2010, at 2:52 AM, Alan wrote:
> This is not crucial since few users may have he files needed for
> SCC-DFTB calculations in $AMBERHOME/dat/slko (I don't), but in the
> test script $AMBERHOME/AmberTools/test/sqm/nma/Run we have:
>
> ../../check_slko_files.x
>
> But either ../../check_slko_files.x has to executable or the line
> above should be preceded by "csh -f ../../check_slko_files.x".
>
> Best,
>
> Alan
>
> --
> Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
> Department of Biochemistry, University of Cambridge.
> 80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>> http://www.bio.cam.ac.uk/~awd28<<
>
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--
Dr. Andreas W. Goetz
San Diego Supercomputer Center
Tel : +1-858-822-4771
Email: agoetz.sdsc.edu
Web : www.awgoetz.de
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Received on Wed Aug 11 2010 - 03:30:04 PDT
