Dear sir,
I want to ask you a small question about lammps. The question is:
I have two kinds of dihedral interactions:
one is using charmm, the other is opls, the scaling factors for the
nonbonded interaction are different from each other. For charm, I use amber force field,
that means scale factor is 0.5 for LJ interaction, 5/6 for Coulombic interactions,
but for opls, the scale factor is 0.5 for both LJ interaction and Coulombic interactions.
I looked up the command “special_bonds”, but I still don’t know how to define that.
You can have a look at my input and data file. I defined the dihedral_style in the input file,
and give the dihedral Coeffs in the data file.
Do you have some suggestions about that?
Thanks.
c5mim.in (1.54 KB)
c5mim.data (606 KB)