[gmx-users] Polarizable models

David van der Spoel spoel at xray.bmc.uu.se
Thu Oct 29 13:14:46 CET 2009

Vitaly V. Chaban wrote:
> Hi,
> Is there any place to read how gromacs treats polarizable models?
> The only thing I found in the official manual is that shells are
> denoted as "S" in the topology. What is especially interesting for me
> now is a concrete implementation and the ways of use.

Our old SW water model is in the distribution (sw.itp).
The reference to the paper is in there IIRC.

> Thanks in advance.
> Vitaly
> --
> Vitaly V. Chaban, Ph.D.
> School of Chemistry
> V.N. Karazin Kharkiv National University
> Svoboda sq.,4, Kharkiv 61077, Ukraine
> email: chaban at univer.kharkov.ua,vvchaban at gmail.com
> skype: vvchaban, cell.: +38-097-8259698
> http://www-rmn.univer.kharkov.ua/chaban.html
> ===================================
> !!! Looking for a postdoctoral position !!!
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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