[gmx-users] velocity autocorrelation function.

#ZHAO LINA# ZHAO0139 at e.ntu.edu.sg
Thu Jun 3 08:23:12 CEST 2010


When I looked up the manual about the autocorrelation (Chapter 8.5. Correlation functions). There is a very general (simple) descriptions. I feel I need a bit more deep-relevant references.
gmx_velacc.c (g_velacc) which computes the velocity autocorrelation function, it's really hard for me to read such a nice codes.
If I want to know much more about the specific formula of velocity autocorrelation functions which is being used in gromacs and how it's implemented, which way I should go?

Great appreciation for any advice,

Best Regards,


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