Lennard-Jones Potential

[ANJANA V M]

Hi Experts,

Can anyone help to calculate the Lennard-Jones potential terms for CaCO3-Water system?

Thanks

Anjana V M

[Thomas Kühne]

Dear Anjana V M, 

you can specify the LJ parameters of your force field at: 

FORCE_EVAL / MM / FORCEFIELD / NONBONDED / LENNARD-JONES

Best, 

Thomas Kühne

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==============================

Thomas D. Kühne

Dynamics of Condensed Matter

Chair of Theoretical Chemistry

University of Paderborn

Warburger Str. 100

D-33098 Paderborn

Germany

thomas...@upb.de

+49/(0)5251/60-5726