[CP2K-user] [CP2K:18016] non-periodic water box

[captain mus]

Dear CP2K Users and Developers

I want to perform a MD of a water molecules in a non periodic box (see 
input), however I got the error massage* "A non-periodic calculation has 
been requested but the system  exceeds the cell size in at least one of the 
non-periodic directions!" , *I have tried to increase the cell size but it 
does not give any effect, I also try to using the CENTER COORDINATES on the 
TOPOLOGY section to keep the water on the box but the result still the 
same. I am really appreciate for  any advice, Thank you

My best
MuS

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