[gmx-users] How to obtain TIP4P/ε water model topology file
joao.m.a.henriques at gmail.com
Tue Feb 20 17:46:55 CET 2018
I'm not very familiar with the TIP4P/ε water model, but if my memory serves
me correctly, isn't it meant for pure water simulations? I'm not sure it's
a good idea to mix it up with a protein force field without proper testing.
Also, CHARMM36 was parametrized to be used with the CHARMM-modified TIP3P
water model, so that makes it even more risky. In any case, I doubt
CHARMM36 comes packaged with it, you'll probably have to create it yourself.
On Tue, Feb 20, 2018 at 5:30 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
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