the goodman group
university of cambridge  


   jaguar
Chemical Information Laboratory

Jaguar


Jaguar may be used as an independent program, but it is easiest to set up calculations using the Maestro interface.
  • Documentation as PDF files in the directory: /usr/glea/schrodinger/docs/jaguar4/pdf/
  • Helpful utilities: jag2moldenfreq.py and jag2molden
  • To run a Jaguar input file type: jaguar run filename.in
  • To list Jaguar jobs type: jaguar jobs
  • To stop Jaguar jobs type: jaguar stop

  • Jaguar jobs often take a long time to run, so they should be submitted to a batch queue. To do this, do not submit the jobs directly from Maestro, but save the input file (filename.in). Submit this to a batch queue by typing 'jagbat filename.in'
  • Jaguar will currently only run on a-gle, b-gle and c-gle.



© Goodman Group, 2005-2017; privacy; last updated October 17, 2017

department of chemistry University of Cambridge