[gmx-users] g_velacc units

[Anton Feenstra]

Esther Caballero Manrique wrote:
> Hello,
> I am trying to calculate  the difussion coefficient of the protein using
> g_velacc and I cannot figure out the units of the integral. Isn't this
> integral supposed to be in units of length^2/time instead of just in
> time units? Are these units a type of reduced units, and if they are,
> does anyone know how can I convert to SI units? 

THis was discussed on the list not so long ago, but I don't remember
the exact outcome (check the archives). Anyway, the integral of a
correlation function is correlation time, in time units (in this case,
that would be ps). The 'surface' units probably come in due to your
system dimensions (?).


-- 
Groetjes,

Anton
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|  _   _  ___,| K. Anton Feenstra                                     |
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