Hello,
Because I want to compare the simulation results (essentially water dynamic)
with previous simulations of reverse micelles, micelles carried out with the
same water model.
Stephane
------------------------------
Message: 8
Date: Mon, 23 Sep 2013 10:45:56 +0200
From: "Dr. Vitaly Chaban" <vvcha...@gmail.com>
Subject: Re: [gmx-users] script to convert the TIP3P water model into
TIP4P
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
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<capxdd+alyfc4g+wnzj7bk0+rj3eexj_js7stjtdwymayt5t...@mail.gmail.com>
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I am confused. Why do you want 4-sites water?
Dr. Vitaly V. Chaban
On Mon, Sep 23, 2013 at 10:36 AM, ABEL Stephane 175950
<stephane.a...@cea.fr> wrote:
> Hello all,
>
> It is not a gromacs problem "per se", but I hope that some gromacs users can
> help me. I would to do simulations of phospholipid bilayers with the
> TIP4P/2005 water model. I have downloaded in the Klauda's website several
> bilayer starting conformations. However, since CHARMM uses the TIP3 water
> model, I am confused to convert the water coordinates into a water four
> sites. Does somebody has a little script to share with me that can help me?
>
> Thank you for kindly help
>
> Stephane
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