Information about vdw in MM
    mark 
    ridd... at gmail.com
       
    Fri Feb  5 13:47:27 UTC 2016
    
    
  
Dear all,
I'm trying to perform classical molecular dynamics with cp2k.
I want to define by hand the inter/intra parameter to have a better control 
of the force field.
I have a doubt regarding the definition of the van der walls interaction.
I'd want to exclude all the intra-molecular vdw interactions, and switch on 
only the inter-molecular vdw one.
Is it possible to do this on cp2k?
>From the keywords definition of the MM parameter it seems that it is 
possible only to rescale the 1-4 vdw, while the others intra-molecular vdw 
can't be excluded.
thank you in advance,
Marco
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