evan.pan.chen at gmail.com
Fri May 24 09:06:46 CEST 2013
The middle column is the total number of hydrogen bonds in your system
under the definition of the hydrogen bonds criteria you have defined (here
you used the default value). The third column is the number of
acceptor-donor paris in the system. The first column is the simulation
time, your trajectory file are saved every 2 ps right?
If you use "xmgrace bovin_hnum.xvg", you can easily find what's the meaning
of the second and third column.
2013/5/24 maggin <maggin.chen at gmail.com>
> # This file was created Fri May 24 13:03:14 2013
> # by the following command:
> # g_hbond -f traj_all_md.trr -s md_0_1_next1.tpr -num bovin_hnum.xvg
> # g_hbond is part of G R O M A C S:
> # Green Red Orange Magenta Azure Cyan Skyblue
> @ title "Hydrogen Bonds"
> @ xaxis label "Time (ps)"
> @ yaxis label "Number"
> @TYPE xy
> @ view 0.15, 0.15, 0.75, 0.85
> @ legend on
> @ legend box on
> @ legend loctype view
> @ legend 0.78, 0.8
> @ legend length 2
> @ s0 legend "Hydrogen bonds"
> @ s1 legend "Pairs within 0.35 nm"
> 0 74 517
> 2 73 515
> 4 69 515
> 6 69 529
> 8 78 525
> 10 74 517
> 12 68 516
> 14 68 524
> 16 71 520
> hi, anybody can tell me at here if Hydrogen bonds Refers to the middle
> column: 74,73,69,69,78,74,68,68,71
> Thank you !
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