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

Wang Zhun wangzhun at pumc.edu.cn
Tue Sep 6 18:46:55 CEST 2005


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?


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