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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