[gmx-users] rotating triclinic box

[Tsjerk Wassenaar]

Hi Felipe,

Rotate 90 degrees around y:

editconf -rotate 0 90 0

Cheers,

Tsjerk
On Jan 8, 2015 10:32 PM, "felipe zapata" <tifonzafel at gmail.com> wrote:

> 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.
>
> Best,
>
> Felipe
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