[gmx-users] Q:DNA simulation,energy minimisation
keerthi gottipati bnj
gotti_keerthi at yahoo.co.in
Fri Jun 6 11:50:02 CEST 2003
Dear gromacs users,
i'm just getting started on gromacs. I'm doing MD on
DNA.i 've encountered the following message after
giving mdrun for energy minimisation.
[Warning: 1-4 interaction at distance larger than 1
These are ignored for the rest of the simulation
Stepsize too small (6.10352e-07 nm)Converged to
but not to the requested precision (2000)
writing lowest energy coordinates.
Steepest Descents did not converge in 15 steps
Potential Energy = nan
Maximum force: inf]
any suggestions over what should be my next step?
Kill as many Blue-Jays as u want, if u can hit them;
but remember, 'it's a sin to kill a mocking bird'.
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