[gmx-users] Where is the origin of the coordinate system?

Lam Nguyen Sy thelord_voldemort at yahoo.com
Mon Jul 9 12:36:30 CEST 2007

Dear Gromacs users,

I have a problem on understanding where the origin of
the coordinate system is. Is it at one corner of the
box, at the center of the box, or somewhere else? The
box type I'm using is truncated octahedral.

I tried to find the minimum and maximum coordinates of
a system (including proteins+water), and it turned out
that the minimum was close to 0 and the maximum was
close to the length of the box vector. This meant the
origin was at a corner of the box. 
But in my analyses, when I pretended that the origin
was at the center of the box, the result appeared to
be very good. And the much worse resulted when I used
the origin at a corner of the box.

If there is any idea, it would be very useful for me.

Have a nice week,


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