AMBER Archive (2004)

Subject: Re: AMBER: MOPAC 7 - How to modift the mopac.sh file to run antechamber properly?

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Tue Apr 06 2004 - 20:25:46 CDT

Hi again,

I followed Joey Harriman's procedure, explained in

http://amber.ch.ic.ac.uk/archive/200401/0155.html,

to solve this problem. It looks like working ok. But I ended up with a
lot of failure messages while running "make test.antechamber". Is this
too normal? Some of the differences seem to be pretty big.

PS: It seems that the mopac.sh file needs to be changed a lot in order to
modify antechamber to see MOPAC 7. I hope in AMBER 8, we wont have such a
problem anymore. 

-- 
  Ilyas Yildirim
  ---------------------------------------------------------------
  - Department of Chemisty       - Home Address:                -
  - University of Rochester      -                              -
  - Hutchison Hall, Office B10   - 60 Crittenden Blvd. Apt. 232 -
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  - Homepage: http://www.pas.rochester.edu/~yildirim/           -
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