[gmx-users] g_rdf calculations for monolayer

[David]

On Sun, 2005-08-21 at 01:04 -0700, Sriprajak Krongsuk wrote:
> Dear Users
>   I have some problem about g_rdf  calculation for monolayer system.
> My system is porphyrazine monolayer at air-water interface. I tried to
> calculate the rdf for water around the center of mass of porphyrazine,
> but the result is still not nomalized. I mean it does not goes to 1 at
> the long distance. 
> My questions are that
> (1) Can I use g_rdf for calculating such a system
yes
> (2) If I can, how should I do to get normalized rdf?
problem is that your system is not homogeneous. If you can come up with
the equation how to do the normalization it can be implemented.


>  
> Best wish,
> 
> 
> Mr. Sriprajak Krongsuk 
> Physics Department 
> Faculty of Science 
> Mahidol University 
> Bangkok, Thailand 10400
>  
> E-Mail: sriprajak at hotmail.com
>             sprajakk at yahoo.com
> Tel.      01-2620095
>     ^^^   ^^^ 
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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