[gmx-users] Rotation matrix sequence

Eugenio Gil egil137 at gmail.com
Tue Jan 22 19:36:12 CET 2019


 Dear all,

I´m using g_rotmat to calculate the angles and therefore orientation of a
protein after simulation. However, I cannot find any information on the
documentation regarding which rotation sequence does GROMACS use for
computing the rotation matrix. I´m assuming an RzRyRx sequence (first
around the x axis, then y, and last z), but a confirmation on this would be
much appreciated.

Many thanks,
Eugenio Gil


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