[AMBER] MM parameters for TiO2

From: Piotr Cieplak <cieplak.cgl.ucsf.edu>
Date: Fri, 30 Apr 2010 14:57:28 -0700 (PDT)

Someone recently asked about those parameters.
This is what I have:

replaced with revised version Wed, 31 Mar 2010 14:55:08 GMT (77kb)
Title: A polarizable interatomic force field for TiO$_2$ parameterized using
  density functional theory
Authors: X. J. Han, L. Bergqvist, P. H. Dederichs, H. M\"uller-Krumbhaar, J. K.
  Christie, S. Scandolo, and P. Tangney
Categories: cond-mat.mtrl-sci
Comments: Accepted for publication in Phys. Rev. B; Changes from v1 include
  multiple minor revisions and a re-write of the description of the force field
  in Section II.
\\ ( http://arxiv.org/abs/0911.5311 , 77kb)


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Received on Fri Apr 30 2010 - 15:00:04 PDT
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