Hi,
I ran a 1 ns MD on a vacuum system in a Linux Bash shell. After 220 ps,
the job was stopped and
I found the following error message at the end of output file. I don't
understand what happened.
Please help me.
"Frac coord min, max: -0.000107843448 0.737832413
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.
EWALD BOMB in subroutine Routine: map_coords (ew_force.f)
Atom out of bounds. If a restart has been written,
restarting should resolve the error"
Thank you very very much!
----Youyi
Received on Thu Apr 24 2003 - 18:53:01 PDT
