What sort of file is it?
You need to load the file with symmetry and unit cell and load more than one
unit cell. Something like:
load caffeine.xyz {1 1 1} spacegroup P1 unitcell 10.0 10.0 10.0 90 90
90
However this does not work with all file types. But that can be fixed...
Bob
On Mon, Feb 1, 2010 at 2:45 PM, houyang chen houyangc...@gmail.com wrote:
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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