[gmx-users] mdrun error

[mahdiyeh poorsargol]

Dear gmx users,
I am using gromacs 4.6.5 to simulate a system including: graphene + water +
surfactant. I used the box with size 7.4,7.4,9.4 (nm3) and a cutoff
distance of 1.2 nm. I have done nvt with Berendsen thermostat for 1 ns ,
npt with Berendsen thermostat and Berendsen barostat for 2 ns (pcoupltype=
isotropic). when I mdrun with Nose-hoover thermostat and Parrinello-Rahman
barostat for 40 ns (pcoupltype= anisotropic), it gave me the following
error:


Fatal error:
Step 109048: The X-size (0.679861) times the triclinic skew factor
(1.000000) is smaller than the smallest allowed cell size (0.679862) for
domain decomposition grid cell 4 0 1

I would be pleased if anyone could help me how to fix this.
mahdiyeh