[gmx-users] g_rotacf

[Mark Abraham]

On 4/06/2011 9:02 AM, simon sham wrote:
> Hi,
> I have tried to use g_rotacf to get the rotational autocorrelation 
> plot for a n-h vector, and I have two questions:
> 1. My MD run is 20ns, but the rotacf.xvg shows only 10ns. why?
>

This can be normal for computed correlation functions. See chapter 5. 
(If you'd provided your command line, and information about how often 
you'd saved data, then I wouldn't be wasting our time with guesses...)

Mark

> 2. The plot is bottom out at 500 ps and then go back up. What does it 
> mean physically?
>
> Thanks for your insight.
>
> Simon
>

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