From: Fugui (theoreticalchem_at_163.com)
Date: Thu May 02 2013 - 07:49:20 CDT
Hi everybody,
I was running a coarse grained MD, and it stoped after 537200 steps, and the error is:
ERROR: Margin is too small for 3 atoms during timestep 537309.
ERROR: Incorrect nonbonded forces and energies may be calculated!
FATAL ERROR: Periodic cell has become too small for original patch grid!
Possible solutions are to restart from a recent checkpoint,
increase margin, or disable useFlexibleCell for liquid simulation.
FATAL ERROR: Periodic cell has become too small for original patch grid!
Possible solutions are to restart from a recent checkpoint,
increase margin, or disable useFlexibleCell for liquid simulation.
FATAL ERROR: Periodic cell has become too small for original patch grid!
Possible solutions are to restart from a recent checkpoint,
increase margin, or disable useFlexibleCell for liquid simulation.
FATAL ERROR: Periodic cell has become too small for original patch grid!
Possible solutions are to restart from a recent checkpoint,
increase margin, or disable useFlexibleCell for liquid simulation.
FATAL ERROR: Periodic cell has become too small for original patch grid!
Possible solutions are to restart from a recent checkpoint,
increase margin, or disable useFlexibleCell for liquid simulation.
So it means i need to increase the size of the box, is it right?
BW
Fugui
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