GPU Docking

[@supercomputer_Nepal]

Thank you for enjoying this video. GPU, MPI, CPU download software ❤.

[@shafkatsajid1427]

Awesome work, brother! There are very few videos on AutoDock GPU, and most of them don’t offer much guidance, but this one is a game changer! Could you create a video showing how you prepared the protein and ligands? A step-by-step tutorial would be incredibly helpful. As someone who is still new to AutoDock GPU, I find it quite challenging to prepare a protein perfectly for running it.

[@Deep_science_sorts]

Very informative. Thank you very much.

[@sandipbhusal868]

Feels good to see it. Thank you sir.

[@SawanKumar-l3l]

Sir, I have difficulty in generating the map files for the receptor and a flexible residue pdbqt file. Sir, could you help me out.. how to prepare that?

[@anjalijain5695]

sir how you downloaded AutoDock GPU.

[@supercomputer_Nepal]

github.com/ccsb-scripps/AutoDock-GPU

[@1p53gen]

What represent NUMWI? is the number of threads? or the number of cores? Thank you for your response.

[@supercomputer_Nepal]

github.com/ccsb-scripps/AutoDock-GPU/issues/172

[@arijitsamanta3660]

Can we give the grid box dimensions?

[@supercomputer_Nepal]

I don't know if it is possible.

[@debanjansaha1304]

Sir, in my terminal it's showing lig1.dlg unavailable

[@supercomputer_Nepal]

lig1.dlg terminal software. I had a stroke, so my speech has not come properly.

[@1p53gen]

Excuse me, how can I know the number of NUMWI I have to write???? My laptop is Acer Geforce 3050, Nitro AN515-58, 12th Gen Intel(R) Core i5, 32 GB RAM, Núcleos (cores):12, procesadores lógicos:16, NVIDIA GEFORCE RTX 3050 Laptop GPU 16Gb shared memory 4GB dedicated memory

[@1p53gen]

Excuse, somebody could help me to know to know what number of NUMWI I have to write in the command: (make DEVICE= NUMWI=)??????? Above I left the characteristics of my laptop. Thank you in advance.

[@PrakritySingh-s8p]

Hello, I am facing error compilation terminated. make: *** [Makefile.Cuda:201: odock] Error 1. please guide me