[gmx-users] protein-ligand complex by gromacs

[Mahboobeh Eslami]

hi GMX users


i have simulated the protein-ligand complex by gromacs. I've repeated the simulation twice but i have get very different results. in one of the simulations ligand separated from protein and stayed in the center of box.
I've checked all of the input files and the steps , but I did not understand why this happened.
Please help me .
Thank you for your kindness