Hey guys,
I am trying to run RAPTOR with lammps 23June2022 and it does not recognize Fourier type dihedrals (dihedral_coeff fourier). Can someone advise on that?
- the command is
dihedral_style fourier
, notdihedral_coeff fourier
. - the dihedral_style fourier command is part of the EXTRA-MOLECULE package and thus your LAMMPS executable must include this package to have the dihedral style available.
Thank you so much, Alex!