[gmx-users] Fatal error: The X-size of the box times triclinic skew factor is smaller than the number of DD cells times the smallest allowed cell size

[Mark Abraham]

wuxiao wrote:
> Dear gmx users,
>   While doing a NPT molecular dynamics(MD), A fatal error was given:
>   The X-size of the box times triclinic skew factor is smaller than the 
> number of DD cells times the smallest allowed cell size.
>   However, either NVT or NVE MD can work well.  Can you give any help to 
> deal with this problem?

It sounds like you might have started with a density that is too low for
your box size.

A more complete description of your system and what you've done with it
might help you get useful advice.

Mark