On Sat, Jun 23, 2012, Dilraj LAMA wrote:
>
> 2)But when I go for the next round with the restart file from the
> previous round, it has the velocities, but since "ig=1", Does it mean
> that the velocities are again rescaled based on this random number and
> the initial temperature 'tempi" ?
On a restart, the input velocities are used without any change. What the "ig"
parameter is doing is setting the random seed for the random contribution to
velocities which is added at every step of Langevin dynamics.
....dac
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Received on Sat Jun 23 2012 - 07:00:03 PDT
