Multicanonical chain-growth algorithm

The first tour, where the nth monomer is attached for the first time, is started with bounds set to = oo and = 0, thus avoiding enrichment and pruning. For the following tours, one uses (4.147), The constant C 1 controls the number of successfully generated chains per tour. For the lower bound a typical choice is C2 = 0.2 [38], 

The efficiency of PERM depends on the simulation temperature. Therefore, a precise estimation of the density of states requires separate simulations at different temperatures. Then, the density of states can be constructed by means of the multiple-histogram reweighting method [86]. Although being a powerful method, it is difficult to keep track of the statistical errors involved in the individual histograms obtained in the simulations. 

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The determination of the contact density gn ns follows similar lines as the multicanonical chain-growth method for the estimation of the density of states. In fact, the only change in the algorithm described in Section 4.11 is that the multicanonical chain-growth weights, defined in Eq. (4.161), are replaced by... 

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