[gmx-users] cross-correlations as a function of interatomic distance

Mark Abraham Mark.Abraham at anu.edu.au
Tue Mar 16 07:34:05 CET 2010


On 16/03/2010 5:16 PM, shahab shariati wrote:
> Hi gromacs users
>
> After using g_covar for obtaining dynamic cross correlation map, how is
> obtained cross-correlations as a function of interatomic distance?
>
> Thank you so much for any help!

I'm not even sure whether "cross-correlations as a function of 
interatomic distance" makes sense. Perhaps you need to explain further 
what you mean. Writing out the maths of it may make it clear to you what 
it is you need to do with the output from g_covar.

Mark



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