[gmx-users] orientation of a cubic system

GIANMARCO BARTALINI gianmarco.bartali at student.unisi.it
Thu Oct 26 13:43:42 CEST 2017

Hello, I have a gro file that contains a cubic system
(water+membrane+protein). Is there a way to align the box with the three
principal axes x y z? I see that with editconf -princ I can align it to x,
but y and z are pointing towards the corner of the box instead of being
aligned with the respective dimensions. I also know that I can rotate the
box setting an angle, but I would really need to find a way to do it
automatically, since I have to repeat the procedure on many different
systems. Any idea? Thank you in advance,

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