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
