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-11 0.902311
1 0.0995577 0.100186 0.134557 0.455234
2 0.0895326 0.0901676 0.126435 0.00815676
3 0.0832442 0.0838836 0.123311 0.00541426
4 0.0787041 0.0793466 0.117936 0.00376486
5 0.0757145 0.0763591 0.116489 0.00198866
6 0.0747267 0.0753721 0.112655 0.00177937
7 0.0721557 0.0728029 0.109565 0.00255146
8 0.0696238 0.0702727 0.107288 0.00241577
9 0.0673242 0.0679747 0.106287 0.00157028
10 0.0664832 0.0671343 0.104746 0.0014926
11 0.064339 0.0649916 0.101947 0.00148105
12 0.0635211 0.0641743 0.0991141 0.00131835
13 0.0617023 0.0623567 0.101322 0.00147757
14 0.060566 0.0612212 0.0965892 0.000719808
.....................................................................................
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
