[gmx-users] equilibration

Mark Abraham mark.abraham at anu.edu.au
Mon Mar 17 08:24:33 CET 2008

> Dear experts,
> Hi,I am doing equilibration ,it crashes a few times due to power
> breakdown.Now I started again  witj the following commands and the
> following output comes.what should i do?

Like it says, your simulation box is badly broken. That means your input
is broken somehow. Pay attention to any warning messages grompp gave you.
I'd be quite surprised if it isn't giving you one. If you don't understand
the grompp message, check out the list of explanations for erros on the


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