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.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
--
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