[gmx-users] Autocorrelation function

[Mark Abraham]

Hi,

If an autocorrelation time is 7ps and you collect data every 20ps, can you
observe the former correctly?

Mark

On Fri, 1 Jul 2016 12:04 sun <sun.iba2 at gmail.com> wrote:

> Hello
> I have completed a protein ligand MD using Gromos43a1 and Gromacs v 5.0. I
> want to know while using gmx analyze, autocorrelation graph between
> eigenvectors is generated. However, the value is going sharply down to 0
> and then to negative values. This probably means that something is wrong
> with the simulation. I want to assess the stability of helical conformation
> in the presence of ligand.
> Secondly, I want to know what is exactly the meaning of following line:
> Option -ac produces the autocorrelation function(s). Be sure that the time
> interval between data points is much shorter than the time scale of the
> autocorrelation.
>
> Please someone elaborate.
> With Regards
> Suniba
>
> Sent from my iPhone
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