| RUN_MOPAC(1) | MOPAC7 | RUN_MOPAC(1) |
run_mopac7 - invoke mopac7 program
run_mopac7 name
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.
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).
| 2007-06-19 |