[gmx-users] timestep

Mehmet Suezen suzen at theochem.tu-muenchen.de
Mon Mar 25 13:29:17 CET 2002

David van der Spoel wrote:
> If you change the timestep, you'll get a discontinuity in the trajectory,
> and in the energies.

If it is smaller then shortest vibrational period if the sytem, it'd be
isn't it?
I do know some publications that they apply, different step sizes
during equilibrations.


More information about the gromacs.org_gmx-users mailing list