HI again,
another possibility is that you are not using "iwrap", so some particles
have moved so far they have existed the bounding box.
phin.
Colby C schrieb:
> Frac coord min, max: -2.0586063485058166E+7 2.058606450492667E+7
> The system has extended beyond
> the extent of the virtual box.
> Restarting sander will recalculate
> a new virtual box with 30 Angstroms
> extra on each side, if there is a
> restart file for this configuration.
> SANDER BOMB in subroutine Routine: map_coords (ew_force.f)
> Atom out of bounds. If a restart has been written,
> restarting should resolve the error
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Received on Sun Jul 01 2007 - 06:07:33 PDT
