autodock gpu issue

[123TRAINTZ]

I get the following error when using autodock gpu, how can I solve it?

Kernel source used for development: ./device/calcenergy.cl
Kernel string used for building: ./host/inc/stringify.h
Kernel compilation flags: -I ./device -I ./common -DN128WI -cl-mad-enable OpenCL device: NVIDIA GeForce RTX 4060 Error: System consists of too many atoms.' Maximum number of atoms is 256.

Error in parse_liganddata, stopped job.

Error in setup of Job #1 Run time of entire job set (1 file): 0.066 sec Processing time: 0.000 sec

The job was not successful.

[diogomart]

AutoDock-GPU is optimized for docking small molecules, say roughly 20 atoms on average, 256 atoms is far larger than any molecule we tested it with. What are you trying to dock?

[123TRAINTZ]

AutoDock-GPU is optimized for docking small molecules, say roughly 20 atoms on average, 256 atoms is far larger than any molecule we tested it with. What are you trying to dock?

Hello, I want to use autodock gpu to dock a 14kda protein and a 100 base DNA.Tried to use gpu because it is slow to use vina but it suggests that the maximum is only 256 atoms.

[diogomart]

That's not a job for either autodock-gpu or vina. I'd suggest looking into software designed for that purpose.

[123TRAINTZ]

这不是 autodock-gpu 或 vina 能胜任的工作。我建议研究一下为此目的而设计的软件。

okay,thanks!