[gmx-users] timestep

Rainer Boeckmann rboeckm at gwdg.de
Mon Mar 25 08:52:55 CET 2002


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 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

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