[gmx-users] velocity output

Erik Lindahl lindahl at stanford.edu
Tue Jul 2 20:14:28 CEST 2002

Rui Qiao wrote:

>Hi everyone:
>	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?
Hi Rui,

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.



More information about the gromacs.org_gmx-users mailing list