[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
machine precision,
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?
 yours sincerely,
 (at trouble!)


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