[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
> 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.
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> Ahmet YILDIRIM
Justin A. Lemkul
ICTAS Doctoral Scholar
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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