Re: Autocorrelation function of Rg goes down without fluctuation around zero

From: Brian Radak (
Date: Thu Aug 18 2016 - 09:47:02 CDT

You either made a mistake in your calculation or else your statistics
are bad. Some details might help distinguish which of those is the case.


On 08/18/2016 04:21 AM, faride badalkhani wrote:
> Dear NAMD users,
> I have plotted the autocorrelation function of radius of gyration as a
> function of time to investigate the equilibration of a system of
> hyperbranched polymer. However, the plot goes down and does not
> fluctuate around zero.
> Could anybody tell me what is the reason and what should I do?
> Any help will be appreciated.
> Regards,
> Farideh

Brian Radak
Postdoctoral Appointee
Leadership Computing Facility
Argonne National Laboratory
9700 South Cass Avenue, Bldg. 240
Argonne, IL 60439-4854
(630) 252-8643

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