[gmx-users] velocity output
lindahl at stanford.edu
Tue Jul 2 20:14:28 CEST 2002
Rui Qiao wrote:
> I am wondering how the velocity is outputed during the
>simulation: since leap-frog is used, the velocity is available at
>t+dt/2. So how is velocity at t+dt outputed? or the velocity output is
>actually at t+dt/2?
The veolcity you get is at t, just as the coordinates. It is calculated
as the average
of t-dt/2 and t+dt/2, but this is exact for verlet class integrators.
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