|
QCMP010. MMIIPC: An Interactive Version of MM2 for
Microcomputers
by N. L. Allinger and Y. H. Yuh, Department
of Chemistry, University of Georgia, Athens,
Georgia 30602
Converted and modified by Peter A. Petillo, Department of Chemistry, University of New Hampshire, Durham, New Hampshire 03824 MMIIPC is an interactive version of Allinger and Yuh's MM2 program (QCPE 395). It is written in Microsoft FORTRAN v. 3.2 and runs on8087mathcoprocessor-equipped microcomputers under MS-DOS or PC-DOS. It is a substantially modified and enhanced version of QCMP004 by D. P. Chong. It is designed to be used in conjunction with MMHPC which provides rapid interactive generation of MM2 input files on the microcomputer and is included with this package. In order to work on machines with only 256K, MMIIPC has been broken up into three programs or modules (ONE.EXE, TWO.EXE and THREE.EXE) each of which corresponds to the subroutines CI1, CE2 and CE3 in the original source. These programs are distributed on separate diskettes, so that modification of a single module is facilitated. Subroutines from the original source are distributed in separate files, the filenames corresponding to the subroutine names. The diskettes for each module have all the source, object and batch files needed to recompile and relink that module. The first module (ONE.EXE) has three diskettes with the appropriate files, while the other two modules have only source-file diskettes each. Thus, MMIIPC is distributed on 7 floppy diskettes, plus 2 for MMHPC. FORTRAN 77 (Microsoft FORTRAN) Lines of Code: 9287 |