[gmx-users] Simulation crashes (Gromacs 4.0.5)

Baudilio Tejerina tejerina at chem.northwestern.edu
Sat Jun 20 06:24:14 CEST 2009


I'm trying to run a simulation that crashes with the message below.
At this point, I'm not a the level of being able to interpret the  
error so, I'm uncertain whether is caused by an ill-conditioned model  
( input ) or an actual bug in the code.

I would enormously appreciate if someone can give me a hands with this.

Program mdrun_mpi_d, VERSION 4.0.5
Source code file: domdec.c, line: 2592

Fatal error:
The X-size of the box (9.999306) times the triclinic skew factor  
(1.000000) is smaller than the number of DD cells (4) times the  
smallest allowed cell size (2.500000)

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