Abstract
In the conformational energy analysis of a biopolymer system with dihedral angles as independent variables, two problems arise from addition of six external variables between two molecules. They are the calculation of the first and second derivatives of the conformational energy function and the calculation of the coefficient matrix in the kinetic energy Lagrangian. Eulerian angles chosen as three of the six external variables in the previous paper (J. Phys. Soc, Jpn. 53 (1984) 3269) involve a singular point in its space. New methods are derived to avoid the sigularity.
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