Shirin Awasthi wrote:
I want to know if there is any way in gromacs where i can complex a
docked ligand mol2 file with the parent receptor protein.
i have the mol2 file file consisting of the translated coordinates for
the ligand.
my desired output is one pdb file for the docked ligand-receptor complex.
You sound like you are looking for a docking program, not a molecular
dynamics suite.
Mark
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