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

From: Ilyas Yildirim <yildirim.pas.rochester.edu>
Date: Tue, 6 Apr 2004 21:25:46 -0400 (EDT)

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 -
  - Rochester, NY 14627-0216     - Rochester, NY 14620          -
  - Ph.:(585) 275 20 31 (Office) - Ph.:(585) 242 91 37 (Home)   -
  - Homepage: http://www.pas.rochester.edu/~yildirim/           -
  ---------------------------------------------------------------
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Apr 07 2004 - 02:53:00 PDT
Custom Search