[CP2K-user] Problems When Running CP2K Tutorial

[Tianshu Jiang]

Hello everyone, 

While running 3rd part of tutorial biochemical QMMM 
<https://www.cp2k.org/howto:biochem_qmmm?s[]=biochemical> , program break 
down due to the error "geometry wrong or emax_spline too small" .
In another discussion 
<https://groups.google.com/forum/#!searchin/cp2k/geometry$20wrong$20or$20emax_spline$20too$20small|sort:date/cp2k/tJSc9rm0ISk/_DmAFsQYBAAJ> , 
jgh suggested that we can either use a flexible water FF or add constraints. 
I want to know where should constraints
should be added. 

I have tried add 
&CONSTRAINT
 &FIXED_ATOMS
 LIST 2132 2120
 &END
&END

But there exists another problem.

Any suggestion will be appreciated.


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