[gmx-users] Zinc parameters

Shushkov Andrey shushkov at pochta.ru
Thu Aug 3 14:11:51 CEST 2006


Hello.
Can somebody help me. I want to create ansemble of zinc atoms.
Zinc atoms are not charged. What parameters of Lennard Jones potential
need to take? Can I take the Lennard Jones parameters for zinc ions 
and apply them to ansemble of zinc atoms, they are not bonded.






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