coarse-grained simulations with errors "Atoms moving too fast" and "low global exclusion"

From: Yaxin An (
Date: Fri Jun 09 2017 - 09:39:28 CDT


I am running coarse-grained simulations with a time step of 5fs. When the
system sizes increased from 100 molecules to 500 or 1000 molecules, the
simulations crushed after running for hundreds of steps. The errors are
"atoms moving too fast" or "low global exclusion". When I used a timestep
of 10fs, these errors emerged after running for hundreds or about one
thousand steps.

I have to restart the simulations, but after some time they crushed again.

Is there someone who knows how to fix this problem?



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