AMBER Archive (2009)

Subject: [AMBER] Showing error in energy minimization

From: bharat lakhani (lakhbharat_at_gmail.com)
Date: Sun Aug 02 2009 - 01:22:30 CDT

When i am minimizing my system by sander.It showing error like
following.what does it mean.what i have to do.

 Frac coord min, max: -923749.038795444 923750.106780641
 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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