[gmx-users] TIP4P, TIP4P-Ew
chihying2008 at gmail.com
Sat Sep 27 19:02:45 CEST 2008
Is it the only thing that I have to do ? =>
"get the original paper and adapt the tip4p.top
to a tip4p-ew.top"
Then, I can say my system is under the water model-TIP4P-Ew.
And, other simulation procedures are all the same for any kind of water
Am I right?
> 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.
> Thank you
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