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 <[email protected]>.
This manual page was written by LI Daobing <[email protected]>, for the Debian project (but may be used by others).