DeltaGroupNJUPT / Vina-GPU-2.1

Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening
Apache License 2.0
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Inquiry about adding Boron atom parameters in Vina-GPU-2.1 #19

Open rajeshk94 opened 5 months ago

rajeshk94 commented 5 months ago

Hello Developers, I'm inquiring about the steps involved in incorporating Boron atom parameters into the Vina-GPU-2.1 tool for the docking of Boronated compounds. In AutoDock, users can modify the AD4_parameters.dat file to include new atom parameters. Does the Vina-GPU-2.1 tool have a similar file for this purpose? Your assistance on this matter is highly appreciated. Thank you for your contribution.