AMBER Archive (2007)

Subject: AMBER: Sander Error

From: Colby C (colbychiauzzi_at_gmail.com)
Date: Fri Jun 29 2007 - 09:47:05 CDT

 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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