RE: [AMBER] antechamber error

From: Mike Hanby <mhanby.uab.edu>
Date: Wed, 27 Jan 2010 15:51:42 -0600

Howdy, I wanted to update the list archive. I built the new RPM based on AmberTools 1.3 and antechamber passed the test. I no longer have to build and deploy the software in the same directory.

Regards,

Mike

-----Original Message-----
From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On Behalf Of case
Sent: Friday, December 11, 2009 6:52 AM
To: AMBER Mailing List
Subject: Re: [AMBER] antechamber error

On Thu, Dec 10, 2009, Mike Hanby wrote:

> Has anyone come up with a workaround for this while we wait for Amber
> 11? I distribute all software to our workstations via RPMs and have come
> up with a spec file that I _thought_ resulted in a working Amber and
> AmberTools distribution.

AmberTools version 1.3 will be out in a matter of weeks, and uses the
AMBERHOME environment variable to find required data files.

In the meantime, there are three general workarounds:

1. Have the user(s) who need antechamber install it on the machines
   they will be using.
2. Have such users log into the machine on which the installation was built.
3. Use soft links to reconstruct the path to amber that was used in building
   it on users machines.

[Also note that "nab" is a compiler, and depends upon the underlying system
compiler and libraries in ways that make it harder to just move things around
in an arbitrary fashion.]

...dac


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Received on Wed Jan 27 2010 - 14:00:03 PST
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