Building tleap

To start from the tarball :

bunzip2 AmberTools20.tar.bz2 tar -xvf AmberTools20.tar cd amber20_src

export AMBERHOME=`pwd`

If there are missing packages you may need an install:

apt-get install csh flex gfortran g++ xorg-dev zlib1g-dev libbz2-dev patch python-tk python-matplotlib

To set up the environment variables use source /home/wales/ambertools2/amber20_src/amber.sh whichcould go in ~/.bashrc

in ~/ambertools2/amber20_src/AmberTools/src/leap

make make install

now tleap and teleap are in

~/ambertools2/amber20_src/bin

which tleap

~/ambertools2/amber20_src/bin/tleap

now it should be possible to do

tleap -f leap.in