[gmx-users] do_dssp version error

Samith Rathnayake samithzzz1 at gmail.com
Mon Sep 12 14:31:07 CEST 2016

Dear all

When i'm run the do_dssp command in the gromacs

do_dssp -f ../run01/run01.trr -s ../run01/run01.tpr -sc scount.xvg -o
ss.xpm -dt 10 -ver 2

i got this error

There are 455 residues in your selected group
dssp cmd='/usr/local/bin/dssp -i dd5J9xcr -o ddPd7b8G > /dev/null 2>
trn version: GMX_trn_file (single precision)
Reading frame       0 time    0.000
Back Off! I just backed up dd5J9xcr to ./#dd5J9xcr.1#

Program do_dssp, VERSION 4.6.5
Source code file: /home/samith/gromacs-4.6.5/src/tools/gmx_do_dssp.c, line:

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

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

thank you


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