Dear Lammps users,
I want to convert dihedral_coeff of an input file belong to DL_POLY to LAMMPS.
dihedral_style in DL_POLY is Cosine potential :
U(φijkn) = A [1 + cos(mφijkn − δ)]
As i checked LAMMPS dihedral_style command , dihedral_style charmm , use the same potential but the coefficients are different :
DL_POLY dihedrals_coeff : cos a b c d 0.155 0.000 3.0 0.8 0.5
LAMMPS dihedral_coeff 1 0.2 1 180 1.0
I was wondering if you have any experince about these kinds of conversion between two different packages ( DL_POLY & LAMMPS ) ?
Thanks for your attention.
Best,
Saeed.