[gmx-users] Velocity autocorrelation function

[Elton Carvalho]

On Mon, Aug 15, 2011 at 11:16 PM, Nilesh Dhumal <ndhumal at andrew.cmu.edu> wrote:
> Using g_velacc I can calculate the velocity autocorrelation function of a
> group as a vector.
>
> Can I calculate the velocity autocorrelation function as a scalar?

My naïve suggestion would be to take the norm of that vector.

-- 
Elton Carvalho
Tel.: +55 11 3091-6985/6922
Dept Física dos Materiais e Mecânica
Instituto de Física
Universidade de São Paulo
P.O. Box 66318 - 05314-970 São Paulo-SP, Brazil