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
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