> Today's Topics:
>
>1. Re: Modify TIP4P to TIP4P-Ew (Justin Lemkul)
>
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> --
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> Message: 1
> Date: Fri, 21 Nov 2014 16:48:14 -0500
> From: Justin Lemkul
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] Modify TIP4P to TIP4P-Ew
> Message-ID: <54
Hi users,
The re-parameterized TIP4P-Ew water model shows encouraging agreements with
experimental results. Since it is now not available in GROMACS, I have to
modify the TIP4P water model to TIP4P-Ew according to this paper.
(Horn et. al. (2004). Development of an improved four-site water model
strain the motion in z.
Or do I need to define walls in the z direction?
Does anyone have similar experience? Your help are highly appreciated!
Cai
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