[gmx-users] Water models and force fields

Lieven Buts lieven at ultr.vub.ac.be
Mon Jul 8 09:19:33 CEST 2002

  I was reading through the (freely available) article on
protein force fields in the "Encyclopedia of Computational 
Chemistry" (http://www.mrw.interscience.wiley.com/ecc/) and
noticed the following:

   "... Popular water models include the TIP3P and TIP4P models
   and the SPC and SPC/E models. Many force fields are designed
   to work with a particular water model to obtain a proper
   balance between the solvent and solute external interactions.
   Using a different water model than that prescribed for a 
   particular force field may alter this balance. ..."

  Does this have any implications for the choice of water model

Lieven Buts
Vrije Universiteit Brussel

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