AutoDock-Vina icon indicating copy to clipboard operation
AutoDock-Vina copied to clipboard

Published 20 hours ago • verified publisher icon ccsb-scripps

Internal error running vina

Open jorgefriaslopez opened this issue 1 year ago • 1 comments

Running the following command: $ vina --ligand ZINC000004340309.pdbqt --maps AF-A0A510JDD9 --scoring ad4 --exhaustiveness 32 --out AF-A0A510JDD9.pdbqt

with maps obtained using autodock4, I get the following error:

Scoring function : ad4 Ligand: ZINC000004340309.pdbqt Exhaustiveness: 32 CPU: 0 Verbosity: 1

Reading AD4.2 maps ... done.

An internal error occurred in ../../../src/lib/parse_pdbqt.cpp(69).

jorgefriaslopez avatar Jan 24 '24 20:01 jorgefriaslopez

Can you post ZINC000004340309.pdbqt?

diogomart avatar Jan 24 '24 22:01 diogomart