[gmx-users] using g_analyze for calculating distance autocorrelation functions
shenhao at mail.bnu.edu.cn
Thu Dec 20 14:30:12 CET 2012
Dear GROMACS users,
I have been working on calculating distance autocorrelation functions by using g_analyze.
The codes i used was
g_analyze -f dist.xvg -ac autocorr.xvg -temp 300.
'dist.xvg' is about the average distance against simulation time. The two columns are both positive datas.
However, the result show a mixture of positive and negative datas. In my opinion, the autocorrelation function should be always positive.
Can anyone help me with that ?
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