[gmx-users] meaning of results of g_hbond -ac
Dear gmxers,
By running the command g_hbond -ac, a resulting .xvg file is generated,
which is attached below. In that file, there are five columns. I guess
that, the first column is time, the second the HB autocorrelation function.
But what are the other columns denoted by s1, s2, s3? Thanks a lot for any
reply.
Yours sincerely,
Chaofu Wu
# This file was created Wed Jul 17 09:49:34 2013
# by the following command:
# g_hbond -f iconf.xtc -s conf.tpr -n -ac ihbac2.xvg
#
# g_hbond is part of G R O M A C S:
#
# GROtesk MACabre and Sinister
#
@title "Hydrogen Bond Autocorrelation"
@xaxis label "Time (ps)"
@yaxis label "C(t)"
@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 "Ac\sfin sys\v{}\z{}(t)"
@ s1 legend "Ac(t)"
@ s2 legend "Cc\scontact,hb\v{}\z{}(t)"
@ s3 legend "-dAc\sfs\v{}\z{}/dt"
0 1 1 -5.79228e-110.902311
1 0.09955770.1001860.1345570.455234
2 0.0895326 0.09016760.126435 0.00815676
3 0.0832442 0.08388360.123311 0.00541426
4 0.0787041 0.07934660.117936 0.00376486
5 0.0757145 0.07635910.116489 0.00198866
6 0.0747267 0.07537210.112655 0.00177937
7 0.0721557 0.07280290.109565 0.00255146
8 0.0696238 0.07027270.107288 0.00241577
9 0.0673242 0.06797470.106287 0.00157028
10 0.0664832 0.06713430.104746 0.0014926
110.064339 0.06499160.101947 0.00148105
12 0.0635211 0.0641743 0.0991141 0.00131835
13 0.0617023 0.06235670.101322 0.00147757
140.060566 0.0612212 0.0965892 0.000719808
.
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