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

Joan Clark Nicolas joan.clark88 at gmail.com
Wed Oct 28 14:57:07 CET 2015

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?

*Joan Clark i Nicolas*

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