Hi Neelanjana,
Note the ./ before the library files. It appears to be looking in the
current directory instead of the $AMBERHOME/dat/leap/lib directory. Are you
sure you have the AMBERHOME environment variable set correctly?
Try
echo $AMBERHOME
it should show the path to the amber 7 installation directory (without the
amber7 directory on the end).
E.g.
/usr/local/apps/
Having this set incorrectly could cause the problems you are seeing.
Another option is that you may not have permission to read those files.
Check that you can read them correctly.
All the best
Ross
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From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
Neelanjana Sengupta
Sent: Monday, April 09, 2007 02:33
To: amber.scripps.edu
Subject: AMBER: Fails to load libraries present in /leap/lib/
Dear AMBER experts,
In the first AMBER-workshop tutorial (DNA polyA-polyT), when I do:
$AMBERHOME/exe/teLeap -s -f $AMBERHOME/dat/leap/cmd/leaprc.ff99 , I get:
Loading parameters: ./parm99.dat
Loading library: ./all_nucleic94.lib
Loading library: ./all_amino94.lib
Could not open file all_aminoct94.lib: not found
Could not open database: all_aminoct94.lib
Could not open file all_aminont94.lib: not found
Could not open database: all_aminont94.lib
Loading library: ./ions94.lib
Loading library: ./solvents.lib
===================
Could you please point out why it fails to load all_aminoct94.lib and
all_aminont94.lib, even though both these libraries (as well the others that
do get loaded) are present in /leap/lib/
I am using amber7.
--
****************************************
Neelanjana Sengupta, PhD student
Dept. of Chemistry
Univ. of California-Irvine
Irvine, CA 92697
USA
Phone: 1-949-824 9921
email: sengupta.uci.edu
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Received on Wed Apr 11 2007 - 06:07:44 PDT
