[gmx-users] water_polarization

[David van der Spoel]

On Sat, 2005-03-12 at 22:23 +0800, xieyh at hkusua.hku.hk wrote:
> Dear users:
> 
> In Shell water model, a definition [water_polarization] is used for anisotropic
> case. What is the meaning of all parameters? And, where can I find the source
> code about water_polarization definition and parameters?
I assume you have read the paper. Three paremeters for different
polarization directions. Source code is in src/gmxlib/bondfree.c

> 
> Thanks and regards,
> Xie YH
> Hong Kong Univ.
> 
> 
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-- 
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://xray.bmc.uu.se/~spoel
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-- 
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://xray.bmc.uu.se/~spoel
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