[gmx-users] POL5/TZ polarizable water model .itp file
David van der Spoel
spoel at xray.bmc.uu.se
Sun Oct 29 22:46:42 CET 2006
Cherry Y. Yates wrote:
> Dear Gromacs users and developers,
>
> I wonder if anyone has an itp file for the POL5/TZ polarizable water
> model (H. A. Stern, F. Rittner, B. J. Berne and R. A. Friesner, /J.
> Chem. Phys./ *115* (2001) 2237-2251.). Thank you very much.
>
>
> Cherry
Sorry, GROMACS has neither fluctuating charges nor polarizable point
dipoles implemented.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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