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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