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[lammps-users] How to convert a triclinic simulation box into cubic
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[lammps-users] How to convert a triclinic simulation box into cubic


From: "Khourshaei Shar, Ali" <akhoursh@...6666...>
Date: Wed, 1 Nov 2017 16:55:54 +0000

Dear LAMMPS users,

Hi,


Actually I'm a bit confused. In the following link which is manual of LAMMPS it says that " If the simulation box is currently triclinic and has non-zero tilt in xy, yz, or xz, then it cannot be converted to an orthogonal box ". 

http://lammps.sandia.gov/doc/change_box.html

On the other hand, some peopole on this forms suggested to use change_box command. What should I do ?! By the way, I have a triclinic simulation box and I should convert it into a cubic before doing my simulations.

Sincerely,

Ali