Hello, everyone,
I got a result of molecules coordinates from simulation.
When i shown it by JMOL, i found part of molecule is in the left side of x
axis in the box; and the other part
is in the right side of x axis in the box.
This is cause by the period bound condition in the simulation.
How can i show the total molecule tegether in JMOL?
Thanks.
Houyang
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