[gmx-users] TIP4P, TIP4P-Ew

Xavier Periole X.Periole at rug.nl
Sat Sep 27 10:51:04 CEST 2008

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.

> Thank you
> Lin

XAvier Periole - PhD

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

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