[gmx-users] David, polarization energy

[David van der Spoel]

On Fri, 2005-04-22 at 16:18 +0800, xieyh at hkusua.hku.hk wrote:
> Dear Dr. David:
> 
> In shell water model, how to calculate the potential from polarization? where
> are the definition and equation in GMX source code?
src/gmxlib/bondfree.c
routine water_pol

> 
> Thanks.
> 
> 
> Xie Yinghong
> 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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