AMBER Archive (2009)

Subject: [AMBER] install ambertools

From: Karl Kirschner (kkirsch_at_scai.fraunhofer.de)
Date: Thu Sep 17 2009 - 07:55:22 CDT

Hi all,

        We have been reorganizing our programs directory here at work. When we
recompiled ambertool-1.2, with bug patches 1-8, we noticed that there were
two directories for executables: $AMBERHOME/bin and $AMBERHOME/exe. The /bin
directory had up-to-date time stamps on all of the files except teleap and
xaleap. However, the /exe directory had old time stamps on all of the files
except teleap and xaleap, which had the up-to-date time stamps.

For example:
$AMBERHOME/bin July 10 2009 xaleap
$AMBERHOME/bin Sept 17 2009 xleap

$AMBERHOME/exe Sept 17 2009 xaleap
$AMBERHOME/exe July 10 2009 xleap

If one looks into $AMBERHOME/bin/xleap it reads:

 #!/bin/sh

export XENVIRONMENT=/home/compchem/software/amber10/dat/XaLeap_wcl
/home/compchem/software/amber10/bin/xaLeap \
       -I/home/compchem/software/amber10/dat/leap/prep \
       -I/home/compchem/software/amber10/dat/leap/lib \
       -I/home/compchem/software/amber10/dat/leap/parm \
       -I/home/compchem/software/amber10/dat/leap/cmd \
       $*

Thus, it appears that $AMBERHOME/bin/xleap is reading the old compiled xaleap.

Is there something obvious that I am doing wrong here? We are compiling this
on a linux 64 bit machine with RedHat Scientific Linux OS.

Thanks in advance,
Karl

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