[CP2K-user] [CP2K:20038] Solvation free energy methods

[mdsimula...@gmail.com]

Hi,

I would like to calculate solvation free energy.  I am familiar with free 
energy perturbation methods with force field based methods.  I am not 
familiar with QM methods besides implicit solvation models.  

Are there QM methods using solvation boxes?  Is this an application of 
metadynamics?

Thanks,
Frank

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