Hi all gromcas users:
In SPC water model, it only has oxygen-oxygen VDW interactons.
So is it the same with coulomb interatctions?
Thanks for any advice in advance!
2009-10-24
Ji Xu
The State Key Laboratory of Multiphase Complex System
Institute of Process Engineering
Chinese Academy of
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.
Mark
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