Re: AMBER: AMBER10 AMBERTools antechamber

From: M. L. Dodson <>
Date: Tue, 23 Dec 2008 10:45:46 -0600

Starr Hazard wrote:
> Folks,
> I successfully compiled and tested AMBER10 and AmberTools 1.2 in directory
> /One/Two/COMPILE/amber10
> Then I moved the binaries to
> /Three/Four/amber10/bin
> So that other users and my compute nodes could see them. The new
> $AMBERHOME is defined as /Three/Four/amber10/
> I have been working with XLEAP and SANDER. The Benchmarks run and
> Tutorial Basic 8 seemed fine
> $AMBERHOME/bin/antechamber -help
> Shows the ANTECHAMBER help menu
> However, when I attempt to run the basic tutorial #4
> The antechamber seems to be using the path to the compile directory to
> locate "bondtype" and exits.
> There does not appear to be an "option" way to tell ANTECHAMBER where
> to look for executable and its default is to look where was compiled.
> Will I have to recompile AmberTools in the final path in order for
> ANTECHAMBER to find its binaries?
> Starr

Yes, the directory path to the compile directory tree is hardwired into the
final executables. (A bug in my opinion.)

Bud Dodson
M. L. Dodson
Business Email: activesitedynamics-at-comcast-dot-net
Personal Email:	mldodson-at-comcast-dot-net
Phone:	eight_three_two-56_three-386_one
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Received on Wed Dec 24 2008 - 01:20:10 PST
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