[gmx-users] How to use gmx h2order when using four point water model

Jun Zhou jun.zhou at monash.edu
Wed Sep 11 04:38:49 CEST 2019

Hi all,

I want to obtain the water dipole orientation at the interface using gmx
h2order. It works well when I I use 3 point water model, like SPC/E. The
manual says that the order of water should be O H H, but for 4 point water
model, there is a vitual atom, and this command cannot output the correct
results. Is there any solutions for this poblem?


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