Open hainm opened 9 years ago
conda config --add channels http://conda.binstar.org/ambertools
conda create -n ambertoolsXX ambertoolsXX
source activate ambertoolsXX
then (python related stuff)
import sander
import parmed
import pytraj
...
run
export AMBERHOME=`find_amber_path.py` `
check_amber_version.py
directly sander -O ....
My note/question about this issue.