[gmx-users] Re: Polarizable water model

Dr. Vitaly V. Chaban vvchaban at gmail.com
Wed Jul 20 18:10:36 CEST 2011

> Is any polarizable water models are available in ITP format? Or may be I
> should prepare .itp from some articles? In recent mail archive I've found
> some mentions about SWFLEX-AI model. Also I've found van der Spoel's
> article. May be somebody have ready .itp files of some models?

There should be a file with polarizable water topology in the standard
topology folder of the gromacs installation.

Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
Univ. Rochester, Rochester, New York 14627-0216

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