How do you perform input and data file for polymers with Polymer Consistent Force Field pcff in Lammps?

Dear All users

I’m trying to simulate a polymer in Lammps Engine. I want to use Polymer Consistent Force Field (pcff) for polimer.I can not use Material Studio to generate the force field parameters of my polymer, and then translate them to lammps, because It is not open source and the problem is that I don’t access to this software. so, Finding force field parameters and inserting in its input is really exhausting. Do you have any other suggestion? in addition, the polymer atoms have distinct charge. I want to know how do you perform the data file for such systems?

How do you perform molecular simulation for polymers in Lammps?

There is no simple answer for your Q. You can see various pre-processing

tools which work with LAMMPS, including force field assignment:

Several such tools also come packaged wtih LAMMPS in its

tools dir. E.g. converting PDB files and assigning the CHARMM ff,

similar for MSI -> LAMMPS, and AMBER -> LAMMPS.