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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section11
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QCMP058. FFMAIN: Force-Field Maintenance
by D. F. DeTar, Department of Chemistry,
Florida State University, Tallahassee,
Florida 32306
FFMAIN is a program for the processing of a
force field in a machine-readable format.
The documentation is presented in the program
FFMAIN.FOR. DETSB.DAT is an example of a
force field in the proposed format. FFMAIN
performs extensive error checking, and it
puts all entries into a defined sorted order.
It provides a convenient tool for providing a
definitive version of a force field and
documenting modifications. The program has
been compiled with the Lahey F77L FORTRAN
compiler; earlier versions have been compiled
with the Microsoft FORTRAN version 4.0 . The
EXE file requires an 8087 and takes about 520
Kb of memory to run. Two file-opening
routines are provided: one for the Lahey
compiler, the other for the Microsoft
compiler.
FORTRAN 77 (Microsoft 4.0)
Lines of Code: 3371
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