AMBER Archive (2009)

Subject: Re: [AMBER] trouble with antechamber

From: case (case_at_biomaps.rutgers.edu)
Date: Mon Nov 30 2009 - 08:57:26 CST

On Mon, Nov 30, 2009, Jennifer L. Muzyka wrote:

> Okay, it looks like our problem is with the mopac program itself,
> because we get the same behavior when we run the test case as you've
> described here. Perhaps more troubling, I don't see a file named
> mopac.out to look for clues. I'd appreciate any advice you can offer
> about what's gone wrong and how we might fix it. Thanks.

Do you get any output at all? Antechamber should say "unable to run mopac"
or "unable to find charges in mopac.out" or something like that....

Is there a "mopac" file in $AMBERHOME/bin? A "mopac.sh" file there? Is your
$AMBERHOME environment variable set correctly?

If this doesn't help, you should probably re-install AmberTools, carefully
noting and reporting what options you used for the configure step, and what
happened during the install process.

...dac

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