[gmx-users] Why the '5-Helix' randomly displayed in the scount.xvg after running do_dssp?

ZHANG Cheng 272699575 at qq.com
Thu Feb 22 18:20:02 CET 2018

Dear Gromacs,
The scount.xvg file was obtained after running

echo 1 | gmx do_dssp -f md_0_1_noPBC.xtc -s md_0_1.tpr -ssdump ssdump.dat -map ss.map -o ss.xpm -sc scount.xvg -a area.xpm -ta totarea.xvg -aa averarea.xvg -tu ns

The secondary structures listed are:

I ran the command for different proteins. It surprised me that the last '5-Helix' randomly displayed in the scount.xvg. Maybe some proteins did not have the '5-Helix', but why not just show them as 0? Can this be improved?

Because I am using a script to read the scount.xvg files, so I want all the files have the same format.

Thank you.

Yours sincerely

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