Hi everyone,
I thought I'd upload this install script for Ubuntu 10.04 for AmberTools 1.4, because it worked. This will be obvious to most of you, but useful for newbies like me. Please note that I installed Ubuntu 32 bit version (the 64 bit version resulted in segmentation faults when loading forcefields in xleap and tleap).
1) Download AmberTools version 1.4 and extract it into your user directory (replace "user" in the below instructions with your user directory name)
2) Open up a terminal window:
Click Applications --> Accessories --> Terminal
3) In the terminal window, add the following line to .profile by typing:
cd ~
pico .profile
(on the bottom of the file, type:)
export AMBERHOME=/home/user/amber11
PATH="$HOME/amber11/exe:$PATH"
(Ctrl-X to exit)
source .profile
Now add the following line to .bashrc:
pico .bashrc
(on the bottom of the file, type:)
AMBERHOME=$HOME/amber11
export AMBERHOME
MPI_HOME=/
export MPI_HOME
(Ctrl-X to exit)
source .bashrc
4) Download AmberTools bug fixes:
http://ambermd.org/bugfixesat.html
Copy bugfix.all into the amber11 directory.
5) In a terminal window, type:
cd ~/amber11
patch -p0 -N < bugfix.all
sudo apt-get install bison
sudo apt-get install csh
sudo apt-get install flex
sudo apt-get install gfortran
sudo apt-get install g++
sudo apt-get install xorg-dev
cd ~/amber11/AmberTools/src
./configure gnu
make install
cd ../test
make test
That's it! Best,
-Dave
PS: I noticed that GROMACS comes already installed in Ubuntu (no sudo apt-get even required!). Maybe AmberTools can hop on the bandwagon?
------------------------------------------------------
David Dubins, Ph.D., B.Eng.
Instructor and Laboratory Coordinator
Leslie Dan Faculty of Pharmacy
University of Toronto
144 College Street Toronto, Ontario M5S 3M2
Telephone: 416-946-3840
Mobile: 647-891-8685
d.dubins.utoronto.ca
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Received on Thu May 27 2010 - 12:00:04 PDT
