[gmx-users] g_analyze doubt
aiswarya.pawar at gmail.com
Mon Sep 26 09:10:58 CEST 2011
i have a .xvg data for the distance of two atoms in each time frame.
Now i want to find the autocorrelation of the time frame. so i should
provide this file as such for input in g_analyze ie x as time and y as
distance? or are there any criteria for the g_analyze input.
On Mon, Sep 26, 2011 at 12:38 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:
> 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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