GROMACS version: 2023
GROMACS modification: Yes
According to the documentation, only h-bonds should be constrained with CHARMM36. Does that apply to simulations of lipid bilayers, or should all bonds be constrained?
GROMACS version: 2023
GROMACS modification: Yes
According to the documentation, only h-bonds should be constrained with CHARMM36. Does that apply to simulations of lipid bilayers, or should all bonds be constrained?
Constraining bonds to H atoms is appropriate for any simulation with the CHARMM force field, irrespective of the contents of the system. Do not constrain all bonds with CHARMM.