[gmx-users] g_analyze doubt

[aiswarya pawar]

Mark,

i read the help but i still didnt understand how do i compute the time
series for this data, should i use this data as such for the input?

Thanks,

On Mon, Sep 26, 2011 at 12:44 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> 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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