GROMACS version: 2019, 2022, 2021
GROMACS modification: No
Dear All,
I have a PDB structure for a complex and large polymer. I need to perform MD simulations using the OPLS-AA force field. I obtained the force field parameters from LigParGen and created the topology using the x2top GROMACS tool. I need to use virtual sites for hydrogen to achieve a more stable simulation. Could you please provide some guidance on how to do this?
Best regards,
Bahareh