[gmx-users] Infinite system PBC and Bonded Interaction

Mark Abraham Mark.Abraham at anu.edu.au
Sun Apr 27 16:39:11 CEST 2008

Eudes Fileti wrote:
> Hello all
> Now I'm getting a different error.
> Suddenly, a water molecule fragments itself and the simulation stops.

Maybe a PBC "error"?

> And when I do a complete simulation (with a number of steps immediately 
> before the crash)
> it presents many inconsistent shifts. I search the forum for a solution 
> and the tips were always
> to update the Gromacs. I am using version 3.3.3 and errors still occur.
> Someone would have any suggestions?

That seems unlikely to be the only suggested solution for a problem of 
this type. Far more likely, you have one of a set of problems that all 
lead to http://wiki.gromacs.org/index.php/blowing_up


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