[gmx-users] g_hbond : normalization autocorrelation function.

[Nilesh Dhumal]

Hello,

I am calculating autocorrelation function without normalization using g_hbond

g_hbond -f test.pdb -s 3.tpr -nonormalize -n hydrogen_1.ndx -ac
./test/hbac_3.xvg -num ./test/num_3.xvg

The output,  hbac_3.xvg, don't have normalized auto correlation function.
Here is initial part

@    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  6.67572e-06    0.761129
      0.05    0.961928    0.992146        3398    0.401535
       0.1    0.959846    0.991717        3496   0.0419408
      0.15    0.957734    0.991281        3599   0.0340092
       0.2    0.956446    0.991015        3660    0.022918


Why is it not normalized ?

Thanks,

Nilesh