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dptech-corp / Uni-Dock

Uni-Dock: a GPU-accelerated molecular docking program
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Potential array index out of range. #85

Closed wzf03 closed 7 months ago

wzf03 commented 7 months ago

https://github.com/dptech-corp/Uni-Dock/blob/785d547bbfe81cbadfe84778df4f5566f0976df7/unidock/src/main/simulation_container.h#L211

ysyecust commented 7 months ago

Hi @prabindh, how do you think this problem should be solved?https://github.com/dptech-corp/Uni-Dock/blob/785d547bbfe81cbadfe84778df4f5566f0976df7/unidock/src/main/simulation_container.h#L211