From: Stern, Julie (jvstern_at_bnl.gov)
Date: Fri Jun 18 2004 - 14:48:36 CDT
I'm running namd and am getting the following errors as its
ERROR: 10 margin violations detected since previous energy output.
ERROR: Margin is too small for 1 atoms during timestep #.
ERROR: Incorrect nonbonded forces and energies may be caculated!
Then is repeats during the simulation varying the timestep # and the
# of margin violations.
I did run minimization prior to this run, so I thought minimization
would take care of any bad contacts. This is a run on the
What does this mean, what margin, and how do I get rid of it?
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