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272. GSPCILO: Modified PCILO
by A. Coursot, CNRS, Universit de Provence, Marseille, France, and J. Sygusch, Department of Biochemistry, University of Alberta, Edmonton, Alberta, Canada This program is a modification of PCILO (QCPE 220). This version has the capability of optimizing bond angles, bond lengths, and torsional angles automatically. The method was developed and modified as described in the following references: 1. M.J.D. Powell, Computer Journal, 7, 155 (1964). 2. W. I. Zangwill, Computer Journal, 8, 293 (1965), with computer work pertinent to the final reference by E. V. Swenson, The Courant Institute, New York University. FORTRAN IV (CDC 6000/7000) Lines of Code: 3675 Recommended Citation: A. Coursot and J. Sygusch, QCPE 11, 272 (1975). |