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A Minimal Model For The Helix-Coil Transition Of Worm-Like Polymers, Gustavo Carri

Gustavo A. Carri

We present a geometric approach to the simulation of the Helix-Coil transition in wormlike polymers. In our model, the polymer is treated as a Freely Rotating Chain with hard-core repulsion between beads. The conformational state (helix or coil) of each bead is determined by the value of its torsion. If the difference between the torsion of a bead and the one of the perfect helix is less than a cutoff value, then the bead is part of a helical domain and carries a negative energy, otherwise it is part of a random coil. We have simulated these concepts using the …