Multiple topology model

Sampling of the Unselected Ligands in the Multiple Topology Model... 

In order to overcome the problems that can occur in sampling configurations of the unbound ligands when using a multiple topology model, we consider two types of restraining potentials. For simplicity, both restraining potentials disappear at the bound states... 

Here Ca is the number of adsorbed molecules A per unit volume, Q is the maximum loading of A, Ka is the adsorption equilibrium constant and Pa is the partial pressure of A. During adsorption there could be several energetically and topologically inequivalent adsorption sites and, in that case, total adsorption may simply become the sum of multiple Langmuir isotherms with contributions from different adsorption sites. The latter and several other isotherms that model... 

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