mark.abraham at anu.edu.au
Sun Mar 30 03:29:09 CEST 2008
> *hi !
> I am getting this error with regard to table extensions. Any suggestions
> overcome this would be greatly appreciated!
> Jayant James
> Warning: 1-4 interaction between 429 and 434 at distance 1.002 which is
> larger than the 1-4 table size 1.000 nm
> These are ignored for the rest of the simulation
> This usually means your system is exploding,
> if not, you should increase table-extension in your mdp file
So have a look at the trajectory to see what's exploding, especially in
the region of these atoms. Probably you will need to set up your system
more carefully, with better EM, and/or equilibration protocols.
More information about the gromacs.org_gmx-users