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!
Mark
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