Skip to content

Commit

Permalink
install openbabel with conda
Browse files Browse the repository at this point in the history
  • Loading branch information
sandipgiri576 committed Jun 28, 2024
1 parent 68f0945 commit eb710ea
Showing 1 changed file with 1 addition and 2 deletions.
3 changes: 1 addition & 2 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -26,8 +26,6 @@ To set up your environment for the tasks, you can create and edit your `.bashrc`
# Create an alias for "mndo2020"
alias mndobin="mndo2020"



# Add Gaussian 16 to your PATH
export PATH=$PATH:/home/apps/g16

Expand All @@ -43,6 +41,7 @@ alias mlatom="MLatom.py"
# Install dftd4 executable in this way
conda config --add channels conda-forge
conda install dftd4
conda install -c conda-forge openbabel
alias dftd4bin="dftd4"
```

Expand Down

0 comments on commit eb710ea

Please sign in to comment.