MOPAC 2007 Installation Instructions for Linux

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July 4, 2008

MOPAC 2007 Installation Instructions for Linux

Request password (free for academic use) from MOPAC 2007 website:
http://www.openmopac.net/download-a.html
A password of the form 12345678a12345678 will be sent to you in an email message

Download linux executable (MOPAC_for_Linux.zip) from
http://www.openmopac.net/Download_MOPAC_Executable_Step2.html

Create mopac directory
$ su
# mkdir -p /opt/mopac

Unzip executable into mopac directory
# cd /opt/mopac
# unzip {download_directory}/MOPAC_for_Linux.zip
# mv MOPAC2007.out mopac

Install password
# ./mopac {password}
{Enter}
{Yes}
# exit

Run a test job
$ mkdir -p ~/test/mopac2007
$ cd ~/test/mopac2007
$ vi test.dat
{create a valid input file}
$ /opt/mopac/mopac test.dat
or
$ /opt/mopac/mopac test

MOPAC documentation
The online manual for MOPAC2002 covers everything in MOPAC2007, except PM6 and RM1. The following functions in MOPAC2002 are not present in MOPAC2007: MINDO/3, PM5, analytical derivatives, the Tomasi solvation model, and intersystem crossing.

Notes:

mopac executable MUST be /opt/mopac/mopac
mopac password MUST be /opt/mopac/password_for_mopac2007