[gmx-users] How to overcome Fatal error of bonded interactions Gromacs 4.0.3

Mark Abraham Mark.Abraham at anu.edu.au
Wed Mar 11 01:52:28 CET 2009

Claus Valka wrote:
> Dear gromacs users,
> I sent this e-mail as how someone can avoid an error that occured during 
> a simulation. The solution I proposed was just increasing the tables 
> extention parameter in the mdp file. The error concerned the bonded 
> interactions and it had to do with bad equilibration resulting in an 
> exploding system.

Indeed. Most such errors are the result of bad equilibration. The Errors 
page on the wiki suggests this, and future GROMACS versions will have 
error messages that include this URL. Hopefully that will lead to better 
trouble-shooting in the future, and lower mailing list traffic!


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