[gmx-users] David, a question about your shell water model.

[xieyh at hkusua.hku.hk]

Dear David:

After reading your paper "Molecular Dynamics Simulations of water with Novel
Shell-Model potentials", I am a little not sure about the following thing. 

To a shell particle, a balance of force can be written as: k.r=q.E. However,is
the electric field E the summation of external and internal field? If yes, in a
box of water, does the interal field also play an important role in e.g.
deciding the dipole moment?

Thanks.


Xie Yinghong
Hong Kong Univ.