AMBER Archive (2009)

Subject: RE: [AMBER] (no subject)

From: david.lisgarten_at_canterbury.ac.uk
Date: Thu Jun 11 2009 - 03:28:56 CDT

 
 
We checked the files as indicated and the mopac files are present.
 
presumably we would need to recinfugure to obtain: output from configure_at ?
 
as new users we are not sure about this point.
 
thank you so far.
 
David
Joanna,
Rex.

________________________________

From: amber-bounces_at_ambermd.org on behalf of david.lisgarten_at_canterbury.ac.uk
Sent: Tue 09/06/2009 14:56
To: AMBER Mailing List
Subject: RE: [AMBER] (no subject)

Thank you,
 
I checked the dir usr/share/amber10/bin and found the file mopac.sh
 
also mopac6 can be found in: usr/share/amber10/bin
 
Thanks,
 
David.

________________________________

From: amber-bounces_at_ambermd.org on behalf of David A. Case
Sent: Tue 09/06/2009 12:47
To: AMBER Mailing List
Subject: Re: [AMBER] (no subject)

On Tue, Jun 09, 2009, david.lisgarten_at_canterbury.ac.uk wrote:

> Running: /usr/share/amber10/bin/mopac.sh

Check the output from configure_at (you may need to run it again). My guess
is that there are messages there saying that the script did not find a
fortran compiler, and hence, mopac would not be available.

If this is not the case, and you *do* have a file "mopac" in the bin
directory, we will have to look for other solutions.

....dac

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