[gmx-users] Re: autocorrelation function using g_analyze

Sung Hyun Park parksh at northwestern.edu
Sun Sep 20 19:02:31 CEST 2009

>They're described in the manual in one of the appendices.

Dear Mark,

Thank you so much for your reply.
I just checked the manual again and looked through the appendices,
but could not find the exact formula used by gromacs to calculate the
autocorrelation function in g_analyze.
I'm sorry to bother you again but could you tell me more specifically
where to look in the appendices?
I also checked the special topics chapter in the manual but it is
still not clear to me which equation is being used by gromacs.

Thanks in advance for your help!


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