[gmx-users] core shell potentials

[abhishek sharma]

sir,

  i am simulating the CdS and Zns nanoparticles  using the buckingham
potentials and from the given refrences i got core shell model data



         Cut-off Å
Buckingham potential              A eV     rho               c6
    Zn core - S shell              672.288    0.39089      0.0     12.00
   Cd core - S shell             1240.9518   0.371852     0.0     12.00
   S shell - S shell                1200.0     0.14900      0.0     12.00

Three-body potential
   S shell - Zn core - S shell       9.42834        109.47      0.3
6.0
                                         107
   S shell - Cd core - S shell     3.59468        109.47      0.3       6.0


and similarly the other charges and other type of interactions

could anybody please help me out how to include these type of
interactions in the topology .top file.


thanking you
abhishek
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