ambertools github, conda

hainm / amber_things

my notes about Amber

BSD 2-Clause "Simplified" License

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Open hainm opened 9 years ago

hainm commented 9 years ago

My note/question about this issue.

hainm commented 9 years ago

Jason's comment

hainm commented 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 ....