[gmx-users] do_dssp problem

Mahboobeh Eslami mahboobeh.eslami at yahoo.com
Fri Oct 10 09:38:41 CEST 2014

hi dear justini use gromacs4.6.5  for protein-ligand complex simulationi wasn to study second structure of my protein for 20ns simulation. i used DSSP . I copied dssp file in /local/usr/bin and use following commandschmod +x dssp./dsspwhen i use following command:do_dssp -f md.xtc -s md.tpr -o md-ss.xpmi get following error:Failed to execute command: Try specifying your dssp version with the -ver option.i searched mailing list of gromacs and i found many similar question (http://comments.gmane.org/gmane.science.biology.gromacs.user/50170) and  
your answer is that use old version of DSSP so i downloaded dssp old version.i copy old vesion of dssp (dsspcmbi)  in /usr/local/bin and use following command "chmod +x dsspcmbi) and export path to bash (export DSSP=/usr/local/bin/dssp"
 but i get following error:
DSSP executable (/usr/local/bin/dssp) does not exist (use setenv DSSP)please help me.

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