[gmx-users] Virtual Sites in protein-ligand systems

[Joan Clark Nicolas]

Dear gmx users,
I am trying to run MD calculations on a protein-ligand system using Virtual
Sites, but as I generate my protein and ligand topologies separately (with
pdb2gmx and acpype, respectively), the VS for the ligand are not generated.

Does anyone know a way to generate the VS for the ligand without adding it
to the force field?

Thanks!
*Joan Clark i Nicolas*