[CP2K-user] changing LJ parameters for QM/MM simulation

[qi...@gmail.com]

Hello, 

I am going through the QM/MM tutorial: 
https://www.cp2k.org/howto:biochem_qmmm

To fix some potential problems, it suggested to change
LJ parameters for some hydrogen atom types, which are ZERO
in the original force field:
#
changeLJSingleType :WAT at H1 0.3019 0.047 
changeLJSingleType :*@HO 0.3019 0.047 
outparm complex_LJ_mod.prmtop 
quit
#

I am wondering whether this is a standard way to change the LJ parameters 
for 
QM/MM simulations. Any comments are appreciated! 

All the best,
Qinghua
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