[gmx-users] do_dssp

Iman Katouzian imaneternity at gmail.com
Mon Dec 16 18:22:05 CET 2019


Good day,

I am using do_dssp to determine the secondary structure of my protein
however when I run my code :
gmx do_dssp -f final.xtc -s md.tpr -n index.ndx -o ss.xpm -sc scount.xvg
-tu ns
I encounter this, and after several minutes the reading time frames is
still ZERO!!
I have already did chmod +x dssp in  ----> '/usr/local/bin/dssp

*Here is the message after running the code:*
 -i ddub26pK 2>/dev/null'
Reading frame       0 time    0.000
Back Off! I just backed up ddub26pK to ./#ddub26pK.1#


Thanks.



-- 

*Iman Katouzian*

*Ph.D.** candidate of Food Process Engineering*

*Faculty of Food Science an*

Selected 1: 'Protein'
There are 122 residues in your selected group
dssp cmd='/usr/local/bin/dssp -i ddub26pK 2>/dev/null'
Reading frame       0 time    0.000
Back Off! I just backed up ddub26pK to ./#ddub26pK.1#



-- 

*Iman Katouzian*

*Ph.D.** candidate of Food Process Engineering*

*Faculty of Food Science and Technology*

*University of Agricultural Sciences and Natural Resources, Gorgan, Iran*


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