[gmx-users] How to calculate the lifetime of one hydrogen bond

Dechang Li li.dc06 at gmail.com
Fri Oct 30 13:06:09 CET 2009


Dear all, 

	I want to calculate the lifetime of one hydrogen bond. I used g_hbond to do this. Here is the out put: 

   Hydrogen bond thermodynamics at T = 298.15 K
--------------------------------------------------
Type      Rate (1/ps)  Time (ps)  DG (kJ/mol)
Forward        -0.001   -1750.289    -666.000
Backward       -0.001   -930.928    -666.000
One-way         0.000   6622.058      26.338
Integral        0.001    739.899      20.905
Relaxation      0.778      1.286       5.152

	Which is the lifetime of the hydrogen bond? What does the "Forward", "Backward" etc. mean? 


Best regards,
2009-1030


========================================= 
Dechang Li, Ph.D Candidate
Department of Engineering Mechanics
Tsinghua University
Beijing 100084
P.R. China 

Tel:   +86-10-62773574(O) 
Email: lidc02 at mails.tsinghua.edu.cn
=========================================

  




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