Man page - run_mopac7(1)

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Package: mopac7-bin
apt-get install mopac7-bin

Manuals in package:

run_mopac7(1)

Documentations in package:

mopac7-bin

Manual

RUN_MOPAC

NAME
SYNOPSIS
DESCRIPTION
SEE ALSO
AUTHOR

NAME

run_mopac7 - invoke mopac7 program

SYNOPSIS

run_mopac7 name

DESCRIPTION

MOPAC provides routines to solve the electronic structure of molecules on a semi-empirical level. Available methods include MNDO, MINDO/3, AM1 and PM3.

run_mopac7 will read input from name.dat and write output to name.out , also write restart file to name.res , density matrix to name.den , logfile to name.log and archive/summary file to name.arc .

AUTHOR

MOPAC7 originally is a work of James J. P. Stewart and co-workers. The MOPAC7 package used as a base for this work was obtained from

http://www.bioinformatics.org/ghemical/download/current/

Older versions can be obtained from

http://downloads.sourceforge.net/mopac7/
ftp://esca.atomki.hu/mopac7/LINUX/

Changes made by Tommi Hassinen , University of Kuopio, Finland, April 2001. email <thassine@messi.uku.fi>.

This manual page was written by LI Daobing <lidaobing@gmail.com>, for the Debian project (but may be used by others).