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Error: could not open "./2bm2_receptor.pdbqt" for reading. #32

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xavierchee opened this issue Oct 10, 2023 · 1 comment
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Error: could not open "./2bm2_receptor.pdbqt" for reading. #32

xavierchee opened this issue Oct 10, 2023 · 1 comment

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@xavierchee
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xavierchee commented Oct 10, 2023

I moved the protein and ligand to the main directory.
So if i check the directory list, i get the following:

2bm2_ligand.pdbqt Makefile Vina-GPU+.exe main
2bm2_protein.pdbqt OpenCL Vina-GPU+_K.exe test
Kernel1_Opt.bin README.md input_file_example test_out
Kernel2_Opt.bin Vina-GPU lib

However, when i try to run
./Vina-GPU --receptor ./2bm2_receptor.pdbqt --ligand ./2bm2_ligand.pdbqt --thread 8000 --center_x 40.415 --center_y 110.986 --center_z 82.673 --size_x 30 --size_y 30 --size_z 30

I get the error:

Error: could not open "./2bm2_receptor.pdbqt" for reading.

Thanks!

@Glinttsd
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Hi, I think you should use --receptor ./2bm2_protein.pdbqt instead of --receptor ./2bm2_receptor.pdbqt

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