[AMBER] please help me out

From: bharat lakhani <lakhbharat.gmail.com>
Date: Wed, 8 Apr 2009 10:18:41 +0100

respected sir,
                      when i am running sander.I am getting following error


 Frac coord min, max: -125660551.867471 125660552.914482
 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




For minimization i am giving these parameters


in vacuo minimization
 &cntrl
  imin = 1,
  maxcyc = 1000,
  ncyc = 200,
  ntb = 0,
  igb = 0,
  cut = 12
 /
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Received on Fri Apr 10 2009 - 01:07:39 PDT
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