GROMACS version:2022.6
GROMACS modification: Yes/No
Hello Teachers I am currently trying to simulate a COF structure and a protein using GROMACS, I have obtained the monomer of this COF structure from the database of COF as shown in figure 1 below. I have used PACMAN to generate the atomic charge of each atom of the monomer, sobtop to generate the force field parameters of the COF, and Multiwfn to convert the cif file of the COF into a PDB file. But now I have a question, that is, how can I use this COF cif file to build a periodic COF PDB file or GRO file like Figure 2 below, so that I can use GROMACS to simulate molecular dynamics?
