[gmx-users] water models add polarization, water film

gromacs ptf1242 at 163.com
Mon Dec 20 02:16:53 CET 2010


Hi, everyone
 
I have run the 3x3x0.8 water film in 3x3x9 box successful.
 
However, I'd like to add polarization to my water model. Because if i want to investigate solution interface, the ordinary water model cannot reproduce the interface properties well.
 
How can i add polarization water model to Gromacs? do i need to modify the .mdp paremeter?
 
Tiefeng
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