[gmx-users] segmentation fault

[Justin Lemkul]

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.
>

http://www.gromacs.org/Documentation/Terminology/Blowing_Up

-Justin

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================