- #1
vjramana
- 15
- 0
Dear Sir/Madam,
I am posting this question here because my field of research is biophysics and i am doing molecular dynamics (MD) simulation on bilayer system.
Well, what I want is some explanations on calculating auto-correlation function using MD simulation data.
I have 4000 frames out of my MD simulation. I want to calculate correlation function (correlation constant) for a particular physical property say, x, from each frame through out all time evolution.
When I look into literature, there I saw an equation in the form of C(t) = <x(0)x(t)>.
1) What does this equation really tells us?
2) How I can proceed to calculate auto-correlation function for 4000, x values from each frame?
I really appreciate any explanation.
Thanks
I am posting this question here because my field of research is biophysics and i am doing molecular dynamics (MD) simulation on bilayer system.
Well, what I want is some explanations on calculating auto-correlation function using MD simulation data.
I have 4000 frames out of my MD simulation. I want to calculate correlation function (correlation constant) for a particular physical property say, x, from each frame through out all time evolution.
When I look into literature, there I saw an equation in the form of C(t) = <x(0)x(t)>.
1) What does this equation really tells us?
2) How I can proceed to calculate auto-correlation function for 4000, x values from each frame?
I really appreciate any explanation.
Thanks