[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.
>
>Mark

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!

Regards,
Sung



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