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On 4/06/2011 11:27 AM, Mark Abraham wrote:
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On 4/06/2011 9:02 AM, simon sham wrote:
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<td style="font: inherit;" valign="top">Hi,<br>
I have tried to use g_rotacf to get the rotational
autocorrelation plot for a n-h vector, and I have two
questions:<br>
1. My MD run is 20ns, but the rotacf.xvg shows only
10ns. why?<br>
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This can be normal for computed correlation functions. See chapter
5.</blockquote>
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Sorry, manual section 8.5.<br>
<br>
Mark<br>
<br>
<blockquote cite="mid:4DE989FE.8090306@anu.edu.au" type="cite"> (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...)<br>
<br>
Mark<br>
<br>
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<td style="font: inherit;" valign="top">2. The plot is
bottom out at 500 ps and then go back up. What does it
mean physically?<br>
<br>
Thanks for your insight.<br>
<br>
Simon<br>
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