AMBER Archive (2009)

Subject: [AMBER] please help me out

From: bharat lakhani (
Date: Wed Apr 08 2009 - 04:18:41 CDT

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
  imin = 1,
  maxcyc = 1000,
  ncyc = 200,
  ntb = 0,
  igb = 0,
  cut = 12
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