[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

[wuxiao]

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?

best regards,

Chaofu Wu

 

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