Calculation of the minimum energy conformation of biomolecules using a global optimization technique II. Conformation of N-acetylglycine N-methyl amide, a model dipeptide unit

Abstract

Further to our study of molecular fragments, the preferred conformation of N-acetylglycine N-methyl amide is calculated by the global optimization method proposed earlier (Subba Rao, Tyagi & Mishra,1981). The classical potential function is used in this study. The results obtained agree with the classical energy calculations of other workers. This study also provides a further test of the efficacy of the method.