[gmx-users] Transference of dihedral potentials between united atom and all-atom force fields

[Pragati Sharma]

Hello gromacs users,

I have a query regarding transference of dihedral potentials between united
atom and all-atom force fields. Suppose, for a dihedral of four carbon
atoms in polybutadine (united atoms: CH2-CH=CH-CH2). Can I use the same
dihedral potentials or force constants for the same set of atoms in an
all-atom force field where carbon and hydrogens are treated separately
while keeping the potential functions same.

Thanks, Pragati