hainm / amber_things

my notes about Amber
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ambertools github, conda #5

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

https://github.com/choderalab/ambermini/issues/14#issuecomment-119664523

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 ....