[gmx-users] TIP4P, TIP4P-Ew

[Xavier Periole]

On Fri, 26 Sep 2008 19:20:31 -0700
  "Chih-Ying Lin" <chihying2008 at gmail.com> wrote:
> Hi
> Is there TIP4P-Ew in the Gromacs 3.3.3 available?
> 
> In the top file, there is only tip4p.top and tip4p.gro.
> 
> Are they the same as TIP4P-Ew model?
TIP4P-Ew is parameterization of TIP4P for treatment of
electrostatics with Ewald summation. Should not be
difficult to get the original paper and adapt the tip4p.top
to a tip4p-ew.top.

XAvier
> Thank you
> Lin

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XAvier Periole - PhD

Molecular Dynamics Group / NMR and Computation
University of Groningen
The Netherlands
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