[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
THE UNITED STATES OF AMERICA
More information about the gromacs.org_gmx-users