[gmx-users] Autocorrelation function

[sun]

Allright. Thank you. 

Sent from my iPhone

> On 01-Jul-2016, at 3:37 pm, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> 
> 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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