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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section11


QCMP026. FFIELD: Force-Field Parameters by D. F. DeTar, Department of Chemistry, Florida State University, Tallahassee, Florida 32306 This program generates all possible bonds, angles, torsions and nonbonded pairs for the definition of an empirical force field from sets of compound atom information. (Compound atoms are atoms and their nearest neighbors.)

FORTRAN 77 (Microsoft FORTRAN) Lines of Code: 3200


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