[gmx-users] g_hbond distance distribution problem

[Dechang Li]

Dear all,

     I used command g_hbond to calculated the distance distribution of hbonds
in my system. There are two columns in the file hbdist.xvg, as showed follow:

@    title "Hydrogen Bond Distribution"
@    xaxis  label "Hydrogen - Acceptor Distance (nm)"
@    yaxis  label ""

@TYPE xy
    0.0025          0
    0.0075          0
    0.0125          0
    0.0175          0
    0.0225          0
    0.0275          0
    0.0325          0
    0.0375          0
    0.0425          0
    0.0475          0
    ......          ...

   I think the second column is the distance distribution of hbonds, so the 
summation of the second column should be 1, right? However, the summation 
in my file is 200, what is the problem?

   And the first column refered to "Hydrogen - Acceptor Distance (nm)" , should
it be the distance of donors and acceptor? Am I right?

 



Best regards,
2008-5-17


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Dechang Li, PhD Candidate
Department of Engineering Mechanics
Tsinghua University
Beijing 100084
PR China 

Tel:   +86-10-62773779(O) 
Email: lidc02 at mails.tsinghua.edu.cn
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