[gmx-users] help

Justin A. Lemkul jalemkul at vt.edu
Tue Apr 27 13:33:35 CEST 2010

vani ms wrote:
> hello 
> i got the warning as the Warning: "1-4 interaction between 246 and 251 
> at distance 4.991 which is larger than the 1-4 table size 2.400 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
> or 
> with user tables increase the table size
> Segmentation fault"
> so tl me wt actually is table extension and table size in mdp file

Your system is blowing up.  This is a well-documented event resulting from any 
number of factors, including insufficient minimization/equilibration, topology 
problems, incorrect .mdp file settings, and the like.  For more:


If you want useful help, post a description of your system, how you built it, 
what you did to minimize and/or equilibrate, and what settings are in your .mdp 
file.  Also please avoid abbreviating words for which there is no sensible 
reason.  It makes reading emails difficult.


> -- 


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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