Tinker Installation Instructions

1. Download a copy of the Tinker source code
   Visit the Tinker homepage and download a copy of the Tinker Full Distribution (GNU gzip)
2. Uncompress the archive
   
   $ su
   # cd /usr/local
   # tar xzf {download_dir}/tinker.tar.gz
   # chown -R root:root tinker
   
3. Copy and update the Makefile
   
   # cd /usr/local/tinker
   # cp make/Makefile source/
   # cd source
   # vi Makefile
   
   (Comment out the inappropriate machine/compiler combination, and uncomment the appropriate combination; update compiler path if necessary)
   
4. Compile Tinker
   
   # make
   
5. Install Tinker
   
   # cd /usr/local/tinker
   # mkdir bin
   # cp -p source/*.x bin/
   # exit
   
6. Run a test job from the command line
   
   
   $ cp /usr/local/tinker/example/benzene.* ~/
   $ vi benzene.key
   
   (Edit the parameters line to point to /usr/local/tinker/params/mm3)
   
   $ /usr/local/tinker/bin/analyze.x benzene
   
7. Configure WebMO to use Tinker as a computational engine
   
   • Login to WebMO as user 'admin'
   • Click 'Interface Manager' to enable the interfaces to any computational chemistry packages that you have installed on your system
   • Click the 'Enable' icon for Tinker
   • Click the 'Edit' icon to configure the Tinker interface
   • Verify that the entries are correct; if necessary, edit entries and click Submit
     • Tinker version: 7.1.3
     • Tinker binary directory: /usr/local/tinker/bin
     • Tinker binary extension: x
     • Tinker parameter directory: /usr/local/tinker/params
   • Click 'Return', 'Return to Admin', and 'Logout' to exit the WebMO administration page
8. Login as a WebMO user, and run a test job using Tinker as the computational engine
9. Workarounds
   
   • For the g77 compiler, make the following changes in openend.f:
     
     c     open (unit=iunit,file=name,status='old',position='append')
           open (unit=iunit,file=name,status='old',access='append')