[gmx-users] Third column of the " hbnum.xvg " file?...What is it meant for ?

Adarsh V. K. adarsh_p130085bt at nitc.ac.in
Fri May 26 19:38:40 CEST 2017


Dear all,

The 'gmx hbond' command returns a *.xvg file... viz. " hbnum.xvg "

I would like to edit the file before viewing in 'Xmgrace'

I opened the hbnum.xvg using 'gedit'. It shows following details (see below)

Can you please tell me what is there in the third column of the file?

---------------------------------------------------------
# gmx hbond is part of G R O M A C S:
#
# GROtesk MACabre and Sinister
#
@    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            2           7
        10           2           5
        20           4           3
        30           3           2
        40           3           3
        50           5           1
        60           3           6
        70           3           6
        80           2           3
        90           5           1
       100          3           3


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