[gmx-users] pair-distance distribution function

[Daniela S. Mueller]

hi jon,

g_rdf counts the radial distribution function of an index group around 
another index group.

daniela


Jon wrote:
> Hello
> 
> Is there a program in Gromacs, or a standalone program, to calculate the 
>  pair-distance distribution function P(r), aka the vector length 
> distribution, for a protein?
> 
> The algorithm is P(r)=Dn(r)/nDr, where Dn(r) is the number of atom pairs 
> whose separation is between r-Dr/2 and r+Dr/2, and n is the total number 
> of atoms in the system.
> 
> I would appreciate any help.
> 
> Cheers
> Jon
> 

-- 

Daniela S. Mueller

Diplom biologist
______________________________________________________________________

-Molecular Dynamics Group, UQ -

Address:
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University of Queensland
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Phone: +61-7-33653732
Email: d.s.mueller at uq.edu.au

Website: http://ilc00f.facbacs.uq.edu.au/SMMS/a_mark/Front.htm

**********************************************************************

- MD group, RuG -

Address:
Molecular Dynamics
Dept. of Biophysical Chemistry
University of Groningen
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9747 AG Groningen
The Netherlands

Email: d.s.mueller at rug.nl

Website: http://www.rug.nl/gbb/md
______________________________________________________________________