AMBER Archive (2003)

Subject: AMBER: MOPAC from antechamber

From: Beale, John (jbeale_at_stlcop.edu)
Date: Wed Dec 10 2003 - 11:46:02 CST

I am a new user of AMBER 7 and I have been unable to get antechamber to execute the mopac program to get charges. Antechamber tries to run the program but fails. My MOPAC program looks for a file *.dat and writes a file *.out. Can someone tell me how the line in "mopac.sh" should read? I am certain that this is where the problem lies, but nothing that I have tries works. Thanks!

John

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