RE: AMBER: Fails to load libraries present in /leap/lib/

From: Ross Walker <>
Date: Tue, 10 Apr 2007 15:53:07 -0700

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?
it should show the path to the amber 7 installation directory (without the
amber7 directory on the end).
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

|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
| <> | PGP Key
available on request |

Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.



From: [] On Behalf Of
Neelanjana Sengupta
Sent: Monday, April 09, 2007 02:33
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
Phone: 1-949-824 9921 
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Apr 11 2007 - 06:07:44 PDT
Custom Search