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We use the CMlA class IV charge model and the SM5.4/A and SM5.4PD/A solvation models to calculate atomic charges and solvation energies for 9-methyladenine and thymine and for alanine and serine dipeptides. The CMlA quantum mechanical charge model provides atomic charges as accurate as or more accurate than those used in popular molecular dynamics force fields but is very economical in both computer...
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