[gmx-users] g_analyze doubt
Mark.Abraham at anu.edu.au
Mon Sep 26 09:08:02 CEST 2011
On 26/09/2011 4:51 PM, aiswarya pawar wrote:
> Hi users,
> I have data with the time frame and the distances, how will compute
> the autocorrelation of this. i did g_analyze but still dont understand
> what should be the y axis data when providing input for g_analyze.
> please help.
I don't understand your question. Your first sentence implies you know
what quantity you want to autocorrelate, and the second implies you don't.
g_analyze needs a time series in an .xvg file of some data to compute an
autocorrelation. Usually, an .xvg file written by a GROMACS tool is
already prepared for such further analysis.
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