GROMACS version: 2021.1
GROMACS modification: No
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Hi all,
I was trying to replicate the tutorial of protein-ligand complex (3HTB and JZ4). In the tutorial it specified that to include the ligand in the system, the contents of ligand.gro must be appended to the complex.gro file, but when I tried viewing the complex.gro in VMD, the ligand did not appear. When I also viewed the ligand.gro, the structure appeared to be broken compared to its mol2 file. So apparently when I ran Production MD yesterday, only the protein and not the protein-ligand complex were ran. Can you help me here? Will appreciate it. Thanks.
Joanna