Margin violation

From: Leandro Martinez (
Date: Tue Jun 01 2004 - 08:10:20 CDT

  Anyone could help me on the meaning of these errors?

ERROR: Margin is too small for 1 atoms during timestep 1438.
ERROR: Incorrect nonbonded forces and energies may be calculated!
ERROR: 2 margin violations detected since previous energy output.

  The simulation does not stop and I guess it is not really important
as they appear just ocasionally in my simulation, but I would certainly
appreciate to understand their meaning.

  Thanks in advance,

Leandro Martínez
Department of Physical Chemistry
Institute of Chemistry
State University of Campinas, Brazil

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