AMBER Archive (2009)

Subject: RE: [AMBER] trouble with antechamber

From: Jennifer L. Muzyka (jennifer.muzyka_at_centre.edu)
Date: Tue Dec 01 2009 - 09:10:40 CST

Okay, we reinstalled AmberTools and ran "make -f Makefile_at test" and everything passed except for tp in antechamber. This is the message we got.
"cd antechamber/tp && ./Run.tp ./Run.tp: program error make: *** [test.antechamber.hasg77] error 1"

We'd appreciate any advice you can offer. Thanks.
-Jennifer

-----Original Message-----
From: amber-bounces_at_ambermd.org [mailto:amber-bounces_at_ambermd.org] On Behalf Of case
Sent: Monday, November 30, 2009 9:57 AM
To: AMBER Mailing List
Subject: Re: [AMBER] trouble with antechamber

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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