Comparison of the energy histograms and conformations between different models of copolymers on lattice

X iv :c on dm at /0 10 84 40 v1 [ co nd -m at .s of t] 2 7 A ug 2 00 1 Comparison of the energy histograms and conformations between different models of copolymers on lattice Edward G. Timoshenko, Theory and Computation Group, Department of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland Yuri A. Kuznetsov Centre for High Performance Computing Applications, University College Dublin, Belfield, Dublin 4, Ireland Roman N. Basovsky ‡ Theory and Computation Group, Department of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland (February 1, 2008) Based on large–scale Monte Carlo simulations on lattice the energy probability distribution functions are investigated for a large set of primary sequences in distinct models of copolymers at low temperatures below transitions to compacted states. Amphiphilic copolymers with hydrophobic and hydrophilic units are found to produce a single or double peak energy distributions corresponding to monoor multi–meric micellar conformations. However, copolymers with short ranged random ‘charge’ interactions in some cases are found to produce energy distribution functions with a well pronounced lowest energy state and a gap separating it from the rest of the spectrum. These, however have rather peculiar conformations corresponding to effectively immiscible domains comprised from monomers of likewise species. Relevance of these observations for coarse–grained models for protein folding is discussed. PACS numbers: 36.20.-r, 87.15.-v