Problem with executing do_dssp in gromacs

Question

[BI]

I am new to gromacs and using gromacs 4.6.5 and dssp-2.0.4. When I am running these commands:

export DSSP=/usr/local/bin/dssp
do_dssp -s md_0_1.tpr -f md_0_1_noPBC.xtc -o dssp.xvg -ver 2

I am getting this error:

dssp cmd='/usr/local/bin/dssp -na dd31ZWbc ddI6at3a > /dev/null 2> /dev/null'
Reading frame       0 time    0.000   
Back Off! I just backed up dd31ZWbc to ./#dd31ZWbc.1#

-------------------------------------------------------
Program do_dssp, VERSION 4.6.5
Source code file: /build/buildd/gromacs-4.6.5/src/tools/gmx_do_dssp.c, line: 669

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

I don't know how to fix it. Please help me?

Thanks

Answer 1

[BI]

Thank you everyone . Finally my do_dssp is working. Problem was with the binary file 'dssp-2.0.4-linux-amd64' .
Now I have installed 'dssp-2.0.4-linux-i386' and it is working fine.
Cheers!!

Answer 2

[ballisticws]

I'm not sure, the commands look ok.

However, have you tried using the commands below, since my guess would be that you are not working in bash?

setenv DSSP /usr/local/bin/dssp
do_dssp -s md_0_1.tpr -f md_0_1_noPBC.xtc -sc dssp.xvg

Edit: Oh, and an after-thought, you're using -o for output, which will write xpm file. If you want a xvg file, then use -sc flag for output.