run_mopac7(1) debian man page | unix.com

RUN_MOPAC(1)							      MOPAC7							      RUN_MOPAC(1)

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).

								    2007-06-19							      RUN_MOPAC(1)