[gmx-users] restore pbc after a rotation

XAvier Periole x.periole at rug.nl
Sun Jan 25 19:43:16 CET 2009


I need to rerun a trajectory that has been rotated to orient a molecule
according to a reference. The pbc are therefore broken.

Would anyone know how to restore the correct position of the atoms  
the unit cell after the rotation is applied. The rotation is actually  
applied around
only one axis (z, membrane normal).

Thanks for any suggestion.

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