[gmx-users] X.Periole at rug.nl

[Xavier Periole]

On Sat, 27 Sep 2008 10:10:42 -0700
  "Chih-Ying Lin" <chihying2008 at gmail.com> wrote:
> Hi
> How about the tip4p.gro ?
> Should I modify it?
No, it should contain everything you need.
> 
> If so, how to modify it?
> 
> Thank you
> Lin
> 
> 
> 
> 
> 
> 
>> 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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