[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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