we want to calculate the time averaged mean squared displacement using LAMMPS coordinates file , actually the file contains the coordinates of x, y, z corresponding to each time step. Here i am giving the file below
Dear Samy Elhadi Oussadou
Thank you, for your kind response. I have already a datafile of coordinates at each dumping timestep of 100. Now i have calculted MSD of ensemble average , But the TAMSD is not able to calculate properly. When we are calculating TAMSD we have to take different lag times, we are unable find how to consider the lag times.
As far as I know, to calculate TAMSD
calculate the displacement vector of a particle at all time steps with respect to the initial timeframe. Then consider a lag time and calculate MSD by the average of the squared displacements over the considered lag time. Then do this for multiple lag times and then average it again to perform time averaging.
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