[gmx-users] g_velacc

Nilesh Dhumal ndhumal at andrew.cmu.edu
Fri Oct 12 22:26:31 CEST 2012


I am calculating the velocity auto-correlation function for my system
which have 128 cation and 128 anion.

How the program calculate the total velocity auto-correlation function?

Does it average the velocity over all atoms at each time step?



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