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.

SEE ALSO¶

mpqc(1)

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).