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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 |