[gmx-users] number of DD cells

[Poojari, Chetan]

Hi,

I am following umbrella sampling tutorial for my membrane protein system.

While running continuous pulling simulation (mdrun)..... under step five: Generating Configurations of the tutorial. I get the below error.

The system ran initially but corrupted very soon with warning " The X-size of the box (4.800448) times the triclinic skew factor (1.000000) is smaller than the number of DD cells (4) times the smallest allowed cell size (1.200000) "

I am using 64 cores with -npme = 16. I haven't set any -dds.
My system box size is  6 x 6 x 12 nm



Please can I know what might be the problem.


Kind regards,
chetan.

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