[gmx-users] correlation function

Justin A. Lemkul jalemkul at vt.edu
Mon Aug 24 21:44:11 CEST 2009

Jamie Seyed wrote:

> with a lot of x-y sets seperated by & character. I think I did not get 
> the key point here. So my question is what is the right way to get 
> <R(0)R(t)> using this tool?? Many Thanks/Jamie

Well, as far as g_analyze is concerned, it's done its job.  If you feed 
g_analyze a whole bunch of data sets, it will give you a whole bunch of ACF's. 
So you essentially got an ACF for each molecule's x, y, and z coordinates.  I 
guess I just don't understand what you're really after, because as I said, 
g_analyze did its job.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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