pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
Currently, one of the inputs of calculate_HH_Donnan is the ESPResSo system object. This should be removed, so the function can be used independently of ESPResSo. Rather, as input one should provide a dictionary containing the concentrations of the different macromolecular species.
Currently, one of the inputs of calculate_HH_Donnan is the ESPResSo system object. This should be removed, so the function can be used independently of ESPResSo. Rather, as input one should provide a dictionary containing the concentrations of the different macromolecular species.