[gmx-users] Does GMX compute coulomb interaction between oxygen and hydrogen in SPC water model?

Mark Abraham Mark.Abraham at anu.edu.au
Sat Oct 24 04:57:51 CEST 2009

xuji wrote:
> Hi all gromcas users:
> In SPC water model, it only has oxygen-oxygen VDW interactons.
> So is it the same with coulomb interatctions?

No, otherwise it would be a one-point water model. All SPC water atoms
have partial charges - see spc.itp.


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