[gmx-users] Fatal error:box vectors shorter than cut-off length

[Wang Zhun]

Hi,

During my MD simulation, the following message was reported:
Fatal error: One of the box vectors has become shorter than twice the cut-off length
Although I've tried different box dimensions manually, but from ngmx I can always see my protein move out of the box in one direction and cause the crash.
My step size is 2 fs, and initial structure of protein has been energy minized.The comm_mode I chose was Linear, shoul I change to Angular?


Thanks.