[gmx-users] about complexing protein and ligand

Mark Abraham Mark.Abraham at anu.edu.au
Sun Jan 11 10:57:34 CET 2009

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.


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