implicit solvent model for ellipsoid solute cavity

Hanning Chen chenh... at gmail.com
Thu Sep 2 23:47:30 CEST 2010


Hi, CP2K developers,

  Is it possible to implement an implicit solvent model for an ellipsoid
solute cavity in CP2K? After reading Blochl's paper, it seems to me that a
spherical cavity is not required. Is not it?

 Thanks.

Hanning
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