GROMACS version:2024.1 GROMACS modification: No Hi all, I’m following the tutorial on Protein Ligand Complex by Dr. Lemkul and I encountered a problem with restraining the ligand. Protein-Ligand Complex I followed the instructions and first restrained the H atoms on JZ4. Then I added restrain infomation at the end of topology file. I then grouped protein with ligand. Protein_JZ…
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01:00 - 12:0018:00 - 19:00