[gmx-users] g_rotacf

simon sham ssham44 at yahoo.com
Sat Jun 4 01:02:07 CEST 2011


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?
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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