[gmx-users] DSSP with gmx 5.0.4

RJ rajiv at kaist.ac.kr
Fri Apr 3 07:35:42 CEST 2015


Dear gmx users,


I tried DSSP of both binary and .exe by renaming it as dssp (dssp-2.0.4-linux-amd64 & dssp-2.0.4-win32.exe from ftp://ftp.cmbi.ru.nl/pub/molbio/software/dssp-2/) and placed in usr/local/bin/dssp.


set the excusable too (  "which dssp" /usr/local/bin/dssp).


Both of them gives  same error as follows; 
I also given a permission for dssp file "chmod 777 dssp" but still the error doesnt go. I use all new version but cant fix it? Any help plz.


gmx do_dssp -f prd_noPBC.xtc -s prd.tpr -sc scount.xvg -o ss.xpm -dt 10 -ver 2


Selected 5: 'MainChain'
There are 1446 residues in your selected group
dssp cmd='/usr/local/bin/dssp -i ddiyE5RC -o ddPnxMzu > /dev/null 2> /dev/null'
Reading frame       0 time    0.000   
Back Off! I just backed up ddiyE5RC to ./#ddiyE5RC.1#


-------------------------------------------------------
Program gmx, VERSION 5.0.4
Source code file: /home/raju/gromacs-5.0.4/src/gromacs/gmxana/gmx_do_dssp.c, line: 670


Fatal error:
Failed to execute command: Try specifying your dssp version with the -ver option.
-------------------------------------------------------
Program gmx, VERSION 5.0.4
Source code file: /home/raju/gromacs-5.0.4/src/gromacs/gmxana/gmx_do_dssp.c, line: 670


Fatal error:
Failed to execute command: Try specifying your dssp version with the -ver option.


 


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