[gmx-users] g_hbond and Autocorrelation function

leilakarami at aol.com leilakarami at aol.com
Mon Feb 22 09:47:18 CET 2010



Hi
 
I used g_hbond for analyzing hydrogen bonds.
 
What is difference between [s0 legend "Ac\sfin sys\v{}\z{}(t)"] and [s1 legend "Ac(t)"] in hbac.xvg file in below?
 
@    title "Hydrogen Bond Autocorrelation"
@    xaxis  label "Time (ps)"
@    yaxis  label "C(t)"
 
@ 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  -0.00217462    0.275102
         2      0.4543    0.847763   0.0871663    0.144609
         4    0.421563     0.83863   0.0883458   0.0141166
         6    0.397833     0.83201   0.0893797   0.0101501
         8    0.380963    0.827303   0.0896131  0.00766257
        10    0.367183    0.823459   0.0899727  0.00601236
        12    0.356914    0.820594   0.0902401  0.00526451
        14    0.346125    0.817584   0.0900176    0.004734
 
Are both of them Are both of them Autocorrelation function?
 
 
 


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