Dear matlab users,
I have obtained the average bond angles for given set of water molecules at each time frame during simulation.
My target is to find the autocorrelation of these bond angles and finally to obtain the power spectrum of water.
Thus, the spectrum can be compared with that of standard spectrum of water.
How can I achieve this?
Any suggestion will be highly appreciated.
My sample file is as follows
time(fs) bond angle of water(deg)
0 104.98
50 104.77
100 105.13
200 104.56
250 103.99
so on.. I have 30000 such values which last for 1.5 ns ( 50 fs*30000 frames)
- Thanks in advance
Best Answer