[gmx-users] range checking error

Giacomo Bastianelli gbastian at pasteur.fr
Tue Dec 5 11:16:09 CET 2006

Dear Users,

I am running MD of an homology model and even with a
long energy minimization step a still get this error message:

Range checking error:
Explanation: During neighborsearching, we assign each particle to a grid
based on its coordinates. If your system contains collisions or parameter
errors that give particles very high velocities you might end up with some
coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot
put these on a grid, so this is usually where we detect those errors.
Make sure your system is properly energy-minimized and that the potential
energy seems reasonable before trying again.

Variable ci has value -2147483648. It should have been within [ 0 .. 1200 ]
Please report this to the mailing list (gmx-users at gromacs.org)

Thanks in advance,

Giacomo Bastianelli

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