I want to set a box without PBC, just only a box. My purpose is I just want my molecule to move in the box. Here is my setting,
set 7 130.000
set 8 300.000
set 9 130.000
crystal define monoclinic @7 @8 @9 90.0 60.0 90.0
crystal build cutoff 15.0
But the program can't run, and if I delete the line "crystal build....", it becomes to run, but I am not sure my molecule moves just in the box, not outside the box.
So, what's wrong with my input file?
Thank you very much!!