Position of M site of TIP4P water

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1

Hi Ahmed,

Thanks a lot. I want to get the orientations of dipole moment of water molecules near a solid wall. Do you have better idea about it rather than calculating the position of M-site as well as the positive charge center of every water molecule? Thanks.

2

The direction of the dipole vector doesn't change if you just use the oxygen position.
Axel.

3

Hi Axel,

Thanks a lot!