H-bond term

[h4RkhW8t53e]

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

[diogomart]

Hi,
Regrettably, we dropped this functionality with v1.2.*. The easiest would be to re-score (--score_only) with vina 1.1.2.

[h4RkhW8t53e]

Okay, thank you for your quick reply!