[gmx-users] How to obtain TIP4P/ε water model topology file

[Tushar Ranjan Moharana]

Hi Henriques,
Thanks a lot for the suggestion. Actually it was TIP4P/(epsilon) which get
modified to TIP4P/?. I regret for the same. I completely agree with your
suggestion. Actually in an article (A fully atomistic computer simulation
study of cold denaturation of a β-hairpin) authors have shown that this
water model with CHARMM36 forcefield showed the best correlation with the
experiment. I went through the concern paper where the TIP4P/(epsilon)
model was tested (Non-Polarizable Force Field of Water Based on the
Dielectric Constant: TIP4P/ε). However I couldn't get the topology
(although parameters are mentioned). I have experimental data to verify if
the water model is not appropriate. It will be a great help if you can help
me getting/creating the topology.

Thanks a lot for your suggestion.

On Tue, Feb 20, 2018 at 10:00 PM, Tushar Ranjan Moharana <
tusharranjanmoharana at gmail.com> wrote:

> Hi All,
> I want to use TIP4P/ε water model with CHARMM36 force field. Can anyone
> let me know where can I get the corresponding .itp file.
>
> Thanks a lot.
>
> "A society with free knowledge is better than a society with free food"
> --
> Tushar Ranjan Moharana
> B. Tech, NIT Warangal
> Ph D Student, CCMB
>



-- 
Tushar Ranjan Moharana
B. Tech, NIT Warangal
Ph D Student, CCMB