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

From: Richard Overstreet (
Date: Fri Jun 09 2017 - 09:45:06 CDT

See here:


In brief the time step will affect the accuracy of your integrator and
you are limited in the choice by the fastest degree of freedom in your

On 06/09/2017 09:39 AM, Yaxin An wrote:
> Hi
> 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?
> Thanks
> Bests;
> Yaxin

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