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fireball_19.11_ambertools_18

Fireball 19.11 & Amber19

git clone https://github.com/fireball-QMD/progs
cd progs
export FIREBALLHOME=$(pwd)
make libfireball
cd ~
tar -xvf AmberTools19.tar.bz2
cd  amber18
export AMBERHOME=$(pwd)
export MKL_HOME=$MKLROOT
cd $AMBERHOME/AmberTools/src/sander
./makedepend > depend
cd $AMBERHOME 
./configure -fireball -noX11 intel
make install
fireball_19.11_ambertools_18.txt · Last modified: 2019/11/19 12:34 by dani