AMBER Archive (2004)

Subject: AMBER: mopac.sh

From: Beale, John (jbeale_at_stlcop.edu)
Date: Mon Jan 26 2004 - 08:31:46 CST

Hello,

I am new to Amber and haven't yet gotten antechamber to give me charges, for instance bcc. Can someone give me an idea about how my mopac.sh file should be set up? On my Linux-based system, to run mopac, I simply enter "mopac file" in any directory. The program looks for "file.dat" but to run mopac all it wants is "file", minus the .dat extension. I would appreciate any advice that I can get. Thanks!

John Beale

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu