[lammps-users] Reference for TIP3P water with PPPM or Ewald

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1

Hi Steve,

In the how to section for TIP3P
water(http://lammps.sandia.gov/doc/Section_howto.html#4_7) , There is a
list of parameters to be used for TIP3P with a long-range Coulombic solver
(Ewald or PPPM in LAMMPS). I just want to know how these parameters where
obtained and what paper cited these parameters.

Thanks

2

The model has been separately parametrized in the literature as TIP3P-Ew. You can find the original citation as: Price and Brooks, JCP, 121, 10096 (2004).

--AEI