[gmx-users] g_cluster

[K.A. Feenstra]

Sebastien Santini wrote:
> 
> Hi,
> 
> g_cluster generate a file called rmsd-dist.xvg with the option  -dist.
> I don't understand the meaning of "a.u." on the y-axis of this file.
> I just want a file with RMS deviation on the x-axis and #structures on
> the y-axis.

It's a normalized distribution (which in general makes more sense than
a number of structures, since the number depends on binwidth and number
of samples) which is in Arbitrary Units. It's integral is 1, so it is
in fact a proper probability distribution.


-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
| |----  | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands   |
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| ' __   | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
|  /  \  |-----------------------------------------------------------|
| (    ) | Dept. of Biophysical Chemistry - University of Groningen  |
|  \__/  | Nijenborgh 4 - 9747 AG Groningen - The Netherlands        |
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