AMBER Archive (2009)

Subject: Re: [AMBER] antechamber error

From: case (case_at_biomaps.rutgers.edu)
Date: Fri Dec 11 2009 - 06:51:44 CST


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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