sir,<br><br> i am simulating the CdS and Zns nanoparticles using the buckingham potentials and from the given refrences i got core shell model data <br><br>
<br> Cut-off Å<br>Buckingham potential A eV rho c6<br> Zn core - S shell 672.288 0.39089
0.0 12.00<br> Cd core - S shell 1240.9518 0.371852 0.0 12.00<br> S shell - S shell 1200.0 0.14900 0.0 12.00<br> <br>Three-body potential
<br> S shell - Zn core - S shell 9.42834 109.47 0.3 6.0<br> 107<br> S shell - Cd core - S shell 3.59468 109.47 0.3 6.0<br><br><br>and similarly the other charges and other type of interactions
<br><br>could anybody please help me out how to include these type of<br>interactions in the topology .top file.<br><br><br>thanking you <br>abhishek<br>