Dear Sir/Madam
We have purchased the academic licence of amber9 in
linux platform. We have have succeeded in installing it. The problem is with
path. We have kept the amber9 folder in /usr/local/.also added the following
lines in .bashrc file of home folder and source it
export AMBERHOME=/usr/local/amber9
export AMBERHOME
PATH=$PATH:$AMBERHOME/exe:$
AMBERHOME/dat/leap/:$AMBERHOME/dat/leap/lib::$AMBERHOME/dat/leap/parm:$AMBERHOME/dat/leap/cmd
export PATH
After that when we type the command tleap it shows the following
-I: Adding /usr/local/amber9/dat/leap/prep to search path.
-I: Adding /usr/local/amber9/dat/leap/lib to search path.
-I: Adding /usr/local/amber9/dat/leap/parm to search path.
-I: Adding /usr/local/amber9/dat/leap/cmd to search path.
Welcome to LEaP!
(no leaprc in search path)
>
while it should have shown
-I: Adding /amber/dat/leap/prep to search path.
-I: Adding /amber/dat/leap/lib to search path.
-I: Adding /amber/dat/leap/parm to search path.
-I: Adding /amber/dat/leap/cmd to search path.
Welcome to LEaP!
Sourcing leaprc: /amber/dat/leap/cmd/leaprc
Log file: ./leap.log
Loading parameters: /amber/dat/leap/parm/parmME.dat
Loading library: /amber/dat/leap/lib/all_nucleic94.lib
Loading library: /amber/dat/leap/lib/all_aminoME.lib
Loading library: /amber/dat/leap/lib/all_aminoctME.lib
Loading library: /amber/dat/leap/lib/all_aminontME.lib
Loading library: /amber/dat/leap/lib/ions94.lib
Loading library: /amber/dat/leap/lib/water.lib
>
We are confused about how to source all other files/folders. Please help us.
--
Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
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Received on Wed Feb 25 2009 - 01:16:28 PST
