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QCMP070. EXTOIN: Program for Converting
External Coordinates to Internal Coordinates
by Eiji Osawa and Yanmei Xun, Department of Chemistry, Faculty of Sciences, Hokkaido University, Sapporo 060, Japan This program converts external coordinates from MM2 (QCMP004) calculations into internal coordinates that can be used directly as input for MNDO (QCMP002) or MOPAC (QCMP019). Molecules with up to 300 atoms can be processed without symmetry considerations. FORTRAN 77 (Microsoft v. 3.2 or later) Lines of Code: 957 |