[gmx-users] limit in reducing time step for integration

María Paula Longinotti mp_longinotti at hotmail.com
Thu Jul 28 18:02:01 CEST 2011


I have been making some tests reducting the time step for the integration with md in the grompp.mdp file and observed that obtained results differ when the time step is 0.0001 from those obtained for time steps 0.0005 and 0.001.
Do you have any idea of which can be the problem?

Paula Longinotti
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