[gmx-users] timestep

[Rainer Boeckmann]

...and what about the energy? Restarting with a different timestep yields a
different kinetic energy! That was the question...
rainer

Mehmet Suezen wrote:

> Hi,
> I don't see any reason not to do that.
>
> Mehmet
>
> Rainer Boeckmann wrote:
> >
> > Hi,
> >
> > is it possible to change the timestep during simulation and getting
> > the same energies after restart? Decreasing the stepsize increases the
> > kinetic energy and pressure for my system...
> >
> > Thanks in advance,
> > Rainer
> >

--
Rainer Böckmann
Theoretical Molecular Biophysics Group
Max-Planck-Institute for Biophysical Chemistry
Am Faßberg 11
D-37077 Göttingen

Tel.: +49(551)201-1141, Fax.: +49(551)201-1089
email: rboeckm at gwdg.de