I've run into an issue with AutodockFR. It works perfectly occasionally. But with some target files, I get a weird error.
The program starts correctly, and it reads the ligand, detects 8 cores, reads the maps in the target file, and shows "performing search" and the progress bar. But then nothing else happens (no stars are displayed, and the task manager shows the CPU at 7% whereas when AutodockFR is actually running the CPU is typically being utilized ~90%).
I am using the Windows 64-bit binary of AutodockFR (Windows 11). The versions are ADFR v1.2, AGFR v1.2, AutoSite v1.0).
6 residues were made flexible
I ran it using these options:
adfr -t 7FEE_noligand_CORRECTED.trg -l A18.pdbqt - J flexDock
I've run into an issue with AutodockFR. It works perfectly occasionally. But with some target files, I get a weird error.
The program starts correctly, and it reads the ligand, detects 8 cores, reads the maps in the target file, and shows "performing search" and the progress bar. But then nothing else happens (no stars are displayed, and the task manager shows the CPU at 7% whereas when AutodockFR is actually running the CPU is typically being utilized ~90%).
I am using the Windows 64-bit binary of AutodockFR (Windows 11). The versions are ADFR v1.2, AGFR v1.2, AutoSite v1.0).
6 residues were made flexible
I ran it using these options:
adfr -t 7FEE_noligand_CORRECTED.trg -l A18.pdbqt - J flexDock