[gmx-users] Polarisablity of water using Gromacs
David van der Spoel
spoel at xray.bmc.uu.se
Tue Oct 9 17:23:14 CEST 2012
On 2012-10-09 14:26, Deepak Ojha wrote:
> Dear Gmx_users,
> I want to calculate instantaneous polarizability of water using
> GROMACS.I found there exists a water
> model which polarisable in gromacs with the itp file sw.itp. Is it
> possible to get the above mentioned
> using the sw water model in gromacs.Are there any tools like g_hbond
> which may help me get the same.
> DeepaK Ojha
> School Of Chemistry
> "Selfishness is not living as one wishes to live, it is asking others
> to live as one wishes to live"
The polarizability is input, the polarization is output. You may want to
use slightly more modern models available from http://virtualchemistry.org.
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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