[CP2K-user] [CP2K:20942] input file for simulation of chemical reactions.

[Aswathi J]

Dear all, I want to use cp2k for simulating chemical reactions. Is the 
input file for simulation be same as simulating water molecules. I have 
made necessary changes to the input file for water simulation and tried for 
the reaction of formaldehyde with water. But all in vain. Any suggestions 
for this are available from your side.

Thanking you

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