Pair style hybrid with special_bonds

Dear LAMMPS community,

I have a system with a copolyimide and a ZIF-8. I plan to test gas separation properties of this mixed membrane.

As i use pcff(class II) forcefield for the polymer and customized parameters for ZIF-8 (which are for 12-6 LJ), i need to use pair_style hybrid for this system. The problem here is that while pcff needs 1-4 cross VdW and Coulombic terms to be weighed as 1 (by special bonds of course), the ZIF parameters needs lj 0 0 0.5 coul 0 0 0.83 .

To sum up, the question is that if there is a way in LAMMPS to apply different special_bonds on different molecules, groups etc.

Dear LAMMPS community,

I have a system with a copolyimide and a ZIF-8. I plan to test gas
separation properties of this mixed membrane.

As i use pcff(class II) forcefield for the polymer and customized parameters
for ZIF-8 (which are for 12-6 LJ), i need to use pair_style hybrid for this
system. The problem here is that while pcff needs 1-4 cross VdW and
Coulombic terms to be weighed as 1 (by special bonds of course), the ZIF
parameters needs lj 0 0 0.5 coul 0 0 0.83 .

To sum up, the question is that if there is a way in LAMMPS to apply
different special_bonds on different molecules, groups etc.

no. it is not recommended to mix different force fields in the way.

not currently, but your’re not the first person to want
that option. I’ve been thinking about how to do it.

Steve