Hi all,

I have encountered an important problem:

Whenever I'm running Discover Dynamics as a standalone job (using BTCL script), I observe that the orientation of the lattice is changing, and I don't know why this is happening. I always use the default alignment (C along Z and B in the YZ plane), and the structure in the initial xsd file has this alignment. However, after the run is completed, the alignment is always changing to A in the X direction and B in the XY plane. Do you have any idea why this is happening and how it can be solved? It is crucial for the purpose of my simulations that C is always aligned in the Z direction.

P.S. this only happens when I run standalone jobs, and it has never happened when I run jobs manually using the MS interface.

Thank you very much for your help.

Christine