[gmx-users] g_analyze doubt

Mark Abraham Mark.Abraham at anu.edu.au
Mon Sep 26 09:14:55 CEST 2011


On 26/09/2011 5:10 PM, aiswarya pawar wrote:
> HI Mark,
>
> i have a .xvg data for the distance of two atoms in each time frame.
>
>
> 0.000000e+00  7.191033e-01
> 1.000000e+00  7.304224e-01
> 2.000000e+00  8.983867e-01
> 3.000000e+00  8.779736e-01
> 4.000000e+00  8.236583e-01
> 5.000000e+00  8.298320e-01
> 6.000000e+00  7.703011e-01
> 7.000000e+00  8.569826e-01
> 8.000000e+00  7.428180e-01
> 9.000000e+00  7.487683e-01
> 1.000000e+01  8.106729e-01
> 1.100000e+01  8.702058e-01
> 1.200000e+01  8.823072e-01
> 1.300000e+01  8.902194e-01
> 1.400000e+01  6.122664e-01
> 1.500000e+01  5.804662e-01
> 1.600000e+01  6.207849e-01
> 1.700000e+01  4.852896e-01
> 1.800000e+01  5.297776e-01
> 1.900000e+01  5.432515e-01
> 2.000000e+01  5.888653e-01
> 2.100000e+01  4.620140e-01
>
>
> 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.

Have you read g_analyze -h and tried it out?

Mark



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