[gmx-users] Advices needed!

Mark Abraham Mark.Abraham at anu.edu.au
Wed Feb 28 01:34:55 CET 2007


When starting a new thread, please delete the text of an old message 
that isn't pertinent. Not only will this prevent spurious data being 
sent to hundreds of people, but later when people go to search the 
archives of this list, they won't come up with erroneous results.

Triguero, Luciano O wrote:
> Hello everyone,
> 
> Does anyone in the list know how to overcome this problem?
> 
> Error message after 2010 iter in mdrun simulation
> 
> ========================================================================
> Warning: 1-4 interaction between 278 and 281 at distance 1.863 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
> ==========================================================================

Have you verified that your system is exploding? If so, then there is a 
problem with your minimization & equilibration procedure.

Mark



More information about the gromacs.org_gmx-users mailing list