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

[Justin A. Lemkul]

Dechang Li wrote:
> 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? 

You might find this thread interesting:

http://lists.gromacs.org/pipermail/gmx-users/2009-February/039955.html

-Justin

> 
> 
> 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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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================