-
Notifications
You must be signed in to change notification settings - Fork 209
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
H-bond term #311
Comments
Hi, |
Okay, thank you for your quick reply! |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Hi,
Thank you for all the hard work put into the making AutoDock Vina great!
I have a small sugestion, if possible, to make the Hydrogen-bonding score term accessible by including it Vina.score/energies report or in the output files. Sometimes this could be useful for filtering. Currently, it is possible to calculate it by rescoring with all weights apart from the H-bond weight set to zero, but perhaps this could be simplified or there is a better solution already?
Many thanks for your consideration!
N
The text was updated successfully, but these errors were encountered: