[gmx-users] %hbond number problem
gromacs564
gromacs564 at 126.com
Wed Mar 23 11:43:35 CET 2011
Dear Justin
I download the script "plot_hbmap.pl" and input "perl $0 -s b4md.pdb -map hbmap.xpm -index hbond.ndx\n",
but the output info is "Unrecognized switch: -bash (-h will show valid options).";
then,I input "perl\n plot_hbmap.pl -s b4md.pdb -map hbmap.xpm -index hbond.ndx\n",and the output info is nothing?
So, could you tell me the correct usage? Very thanks!
There are protein and sol in b4md.pdb file.The hbond.ndx file only contain the [ hbonds_Protein ] section:
1 2 603
1 2 619
1 2 634
1 2 635
1 2 1299
1942 1943 1917
1937 1939 113
1937 1939 114
-------------------------------------
xiaodu
My simulation system contains protein, dna and water.
I used your script already for obtaining %exist hydrogen bonds between
protein and dna
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