
Installation instructions for CentOS-6

If you want an updated copy of MOPAC, then:

1.1. Download a new executable from: http://openmopac.net/Download_MOPAC_Executable_Step2.html

1.2. Replace the old executable with the new one.

If you are a first-time user of MOPAC2016, then:


1. Create a directory called "/opt/mopac/"  You might need to use a command such as:

    sudo mkdir -p /opt/mopac
 
    Give this directory the privileges "rwxrwxrwx", 
    i.e. run the command: "chmod 777 mopac"  You will need superuser 
    privileges to do this.  If you can't use /opt/mopac, then set
    define the location of the license key as shown below.

2. Download the CentOS-6 MOPAC2016 executable, and put it in the directory  
    "/opt/mopac/"  

3. Add the following line to your .bashrc start-up script: "alias 
    mopac='/opt/mopac/MOPAC2016.exe'" 

4. Run the start-up script, that is, run the command: "source .bashrc"  This 
    will activate the alias. 

5. Create a directory that will be used for running MOPAC jobs. 

    Check that MOPAC will run the job Example_data_set.mop.  This job should take
    about 0.05 seconds to run.  After the job runs successfully, as a safety precaution 
    change permissions on the MOPAC folder to prevent writing to it.  This is a security 
    step intended to stop any accidental or deliberate attempts to mess with the contents 
    of the MOPAC folder.

6. 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"

7. You are now ready to run MOPAC2016.  If you are new to mopac, please see: 

http://openmopac.net/manual/running_mopac.html


              


Problems?  Please see: http://openmopac.net/Discussions/Problems%20installing%20MOPAC.html 


