[gmx-users] segmentation fault

Justin Lemkul jalemkul at vt.edu
Thu Nov 29 16:46:14 CET 2012

On 11/29/12 10:44 AM, Shine A wrote:
> Sir,
>       I have one more doubt. During NVT equilibration mdrun giving
> segmentation fault and not generating any gro files and generating two pdb
> files. The message is like this
>    Wrote pdb files with previous and current coordinates
>    Warning: 1-4 interaction between 485 and 490 at distance 3.874 which is
> larger than the 1-4 table size 2.200 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
> why this fault?plz give a solution to overcome it.




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


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