 |
 |
 |
 |
 |
 |
 |
 |
|
|
|
|
|
|
|
|
For the version of MOPAC2007 that works with ChemBio3D, contact
Cambridgesoft
for
instructions.
Installation instructions for WINDOWS
(installation instructions are also included with the download)
1. Download the appropriate executable, unzip it, then make sure your
emailed password is available.
2. Create a folder called "MOPAC" under "C:\Program Files"
(i.e. create "C:\Program Files\MOPAC")
3. Put "MOPAC2007.exe" in the new folder "C:\Program Files\MOPAC"
4. Using Notepad (or MS Word), create a new ".txt" file
5. Name the file the same as your password (sent to you by email), i.e. if the
password is 1234a5678 then name the file "1234a5678.txt", then Save it.
6. Change the suffix of this file from "txt" to "mop"
7. Place this file in the same folder as the MOPAC2007.exe
8. Right-button click on this new (password.mop) file
9. Select "Open with | Choose a program"
10. Then click "Browse..." and navigate to
"C:\Program Files\MOPAC\MOPAC2007.exe"
11. Select "MOPAC2007.exe" then click "Open"
12. Read the license agreement
13. If you agree, click the Return (Enter) key, then type the word "yes" and
click return again.
14. Click the "Yes" button on the dialog box to complete the process.
15. You are now ready to run MOPAC2007
Installation instructions for LINUX
(installation instructions are also included with the download)
1. Create a directory called "/opt/mopac/" and give it privileges "rwxrwxrwx",
i.e. run the command: "chmod 777 mopac" You will need superuser
privileges to do this.
2. Download the Linux MOPAC2007 executable, and put it in the directory
"/opt/mopac/"
3. Add the following line to your .bashrc or .cshrc start-up script: "alias
mopac='/opt/mopac/MOPAC2007.out'"
4. Run the start-up script, that is, run the command: "source .bashrc" This
will activate the alias.
5. A password will be sent to the E-mail address you provided on the previous
page. It should arrive within 48 hours. If it does not arrive then, please
contact: MrMOPAC@OpenMOPAC.net.
6. Create a directory that will be used for running MOPAC jobs.
7. Do one of the following two operations:
EITHER:
At the command level, run the command: mopac <password>
OR
At the file manager window, create a data set with the same name as the
password. That is, if the password is 12345678a12345678 then create a
file with that name. Open that file with MOPAC2007.
The first time MOPAC is run, it will read the password and run a question-
and-answer dialogue. When that is completed, the password is installed.
8. Run MOPAC using data sets that have the names <file>.mop, <file>.dat, or
<file>.arc. E.g. run the command "mopac test" to run the data set
"test.mop", or "mopac test.arc" to run the data set "test.arc"
© 2007 SCC, Web site by Fantasia Marketing