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

[ZHANG Cheng]

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:
'Structure','Coil','B-Sheet','B-Bridge','Bend','Turn','A-Helix','3-Helix','5-Helix'


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
Cheng