Assertion failed error in gromacs during protein ligand complex tutorial?

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Harvinder Singh

Vikas Yadav try gmx_qk if you are a very beginner to the P-L complex simulation in gromacs. Article Gmx_qk: An Automated Protein/Protein-Ligand Complex Simulati...

Tanushree Das

Please go through this for some help.

https://gromacs.bioexcel.eu/t/assertion-failed-error-in-gromacs-during-nvt-equilibration-in-protein-ligand-complex-tutorial/7194