[gmx-users] rotating triclinic box

felipe zapata tifonzafel at gmail.com
Thu Jan 8 22:32:13 CET 2015

Hi all,
I have a triclinic box containing several chains of a biopolymer with the
following crystal information:

CRYST1  115.000   75.000   75.000  80.37 118.08 114.80 P 1           1

I want to apply a semiistropic pressure coupling orthogonal to the chains
(XY plane), but unfortunately the strands of the polymer are oriented along
the x-axis instead of the z-axis. How can I change the orientation of the
box in such a way that the strand are orientated along the z-axis? it means
I want to rotate the triclinic box swapping the x and z axes.



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