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define_AA_particles_in_sequence
Currently define_AA_particles_in_sequence is highly specific for proteins and peptides. We could generalize this function so:
# Just an example of a possible setup kT = pmb.Quantity(1, "reduced_energy") particle_names=["A","B"] particle_parameters={"sigma": {"A": 0.2*pmb.units.nm, "B": 0.3*pmb.units.nm} "epsilon:{"A": kT, "B": kT} "q":{"A": 0, "B": 1} def define_list_of_particle(particle_names, particle_parameters): for particle_name in particle_names: parameter_values={} for parameter_name in particle_parameters.keys(): if particle_name in particle_parameters[particle_name]: parameter_values[particle_name]=particle_parameters[particle_name] else: parameter_values[particle_name]=None self.define_particle(**parameter_values)
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solved in #63
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Currently
define_AA_particles_in_sequence
is highly specific for proteins and peptides. We could generalize this function so:The text was updated successfully, but these errors were encountered: