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, Gianmarco -- Gromacs Users mailing list
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