about Hydrogen Bond correlation function

From: Jun Zhang (coolrainbow_at_yahoo.cn)
Date: Thu Nov 04 2010 - 00:55:28 CDT

Hello everyone:

I would like to calculate the HB correlation function according to:

c(t)=<h(0)h(t)>/<h>

in "Nature,379:55-57". However, I have been convoluted by the meaning of <>:
 Is it an average over all atom pair at a particular time or over the entire trajectory for a particular pair? I prefer the second definition, but I am not sure. Please help me. Thank you in advance.

Jun Zhang
Nankai University
coolrainbow_at_yahoo.cn

      

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