[gmx-users] g_rotacf

[Mark Abraham]

On 4/06/2011 11:27 AM, Mark Abraham wrote:
> 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.

Sorry, manual section 8.5.

Mark

> (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
>>
>

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110604/d23ae635/attachment.html>