[gmx-users] Conserved energy
malvezzi at iq.usp.br
Thu Aug 18 23:12:38 CEST 2005
one way to verify the stability of trajectories is to follow if the
total energy of the sistem is being conserved.
Since numerical fluctuations cannot be avoided, how much can the values
fluctuate (drift), and still the energy be considered conserved?
If any one knew a reference on this topic I would be happy.
More information about the gromacs.org_gmx-users