INITIAL_TRANSLATION_VECTOR not translating QMMM box

[ganta.pra... at gmail.com]

Dear CP2K team/ users,


I have a system as shown below and the box is QMMM box with electron 
density plotted around QM atoms.  I have QMMM periodicity in XZ direction.

I dont want CP2K to center QM system, based on min-max of QM atoms (I fear 
if the QMMM grid is not aligned properly to accommodate periodicity - any 
corrections?) and therefore I have used CENTER NEVER. 

But I would like to use INITIAL_TRANSLATION_VECTOR 
<https://manual.cp2k.org/cp2k-3_0-branch/CP2K_INPUT/FORCE_EVAL/QMMM.html#INITIAL_TRANSLATION_VECTOR> to 
translate my QMMM box in Y direction. It does not seem to work. Please let 
me know if you have any suggestions.

<https://lh3.googleusercontent.com/-R9ge3fIiMqg/Wz9Cp_Qb3NI/AAAAAAAAD3o/tma9mMDTlxkHxxLrYFrTBMPY4QYfcg00gCLcBGAs/s1600/QMMM.png>
Have a nice weekend.

Thanks and Regards,
Prasanth.





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