Hello Everyone,
I am working on polymer translocation inside a nanopore using lammps. The problem I am going through is that I am applying electric field (efield command ) to translocate the nanopore along z-axis from -5 to +5 but it is going up to 0 in most of the simulation and then in all simulation it is retracting back. Even though on increasing electric field the naopore is not translocating. Whats the solution of this problem?
This is not sufficient information to help you. On one hand your question is very specialised (not many people do non-equilibrium polymer nanopore simulations).
On the other hand, paradoxically, your question is also very vague, and I don’t know (1) what polymer and nanopore you are simulating (2) why you expect an electric field to translocate your polymer and/or nanopore (3) how you are running your simulation (MD boxes are usually periodic but translocation is very much a non-periodic process, so how are you handling that?).
In any case this sounds like a very complicated simulation and you should try starting with more basic building blocks (bulk solvent, solvent + nanopore, solvent + polymer, solvent + nanopore + electric field, solvent + polymer + electric field) to be sure you fully understand your system and what you expect it to do.