[gmx-users] DSSP error

Justin A. Lemkul jalemkul at vt.edu
Wed Nov 10 20:50:48 CET 2010

ahmet yıldırım wrote:
> 1.step-root at ab-desktop:/home/ab/Desktop# tar xvzf dsspcmbi.tar.gz
> 2.step-root at ab-desktop:/home/ab/Desktop/dssp#./DsspCompileGCC
> 3.step-root at ab-desktop:/home/ab/Desktop/dssp# cp dsspcmbi dssp
> 4.step-root at ab-desktop:/home/ab/Desktop/dssp# export 
> DSSP=/usr/local/bin/dssp
> Dear Justin,
> I compiled the program. you said "Your environment variable is wrong", 
> Now is it true??

Yes, although it's still not necessary.  As I said before, if your dssp binary 
is in /usr/local/bin/dssp, then that's what Gromacs expects.  You only have to 
set the DSSP environment variable if you've got the dssp binary somewhere else.


> Thanks for your helps
> 2010/11/10 Ali Naqvi <mnaqvi at ryerson.ca <mailto:mnaqvi at ryerson.ca>>
>     May be the directory you are working in is read only, as Justin
>     mentioned this could be a permissions issue. 
>     As an example the super computer that I use, cannot write anything
>     in the home directory, therefore all simulations and analysis are
>     done in scratch.
>     Ali
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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