[gmx-users] scalar correlation matrix

Ran Friedman r.friedman at bioc.uzh.ch
Mon Sep 21 14:30:14 CEST 2009


Hi,
Check out the modified g_covar version with correlations, which is on
the user contributions.
Ran.

sheerychen wrote:
> Hello, everyone,
>
>         Do anybody knows how to calculate the scalar correlation
> matrix across the alpha carbon atoms, where the correlation function
> is defined as: Cij=<delta_ri*delta_rj>/squart(<delta_ri^2><delta_rj^2>).
> Is there any direct command can do this in gromacs? Thanks.
> //   
> //
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