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ccsb-scripps / AutoDock-GPU

AutoDock for GPUs and other accelerators
https://ccsb.scripps.edu/autodock
GNU General Public License v2.0
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Error is displayed during analysis #263

Open Binjingbiox opened 5 months ago

Binjingbiox commented 5 months ago

However,if an attempt is made to open the dlg file via analysis,the following error message appears.Consequently,"Fatal Error:insufficient grid point" is displayed when the dlg file is opened using TXT.resolve the issue?Is the grid box parameter set incorrectly? 微信图片_20240420204328 微信图片_20240420204718

rwxayheee commented 5 months ago

Hi @Binjingbiox Seems like the docking failed, and thus no molecules were available for analysis. Can you provide your docking command and inputs? Also which docking engine did you use, AutoDock4?

There seems to be a space in the name of the grid map dimensions file, not entirely sure if that's the problem