GROMACS version: 2023.1
GROMACS modification: No
Hello.
I want to run simulation of ionic compound. I submitted the pdb files of the ions to the ACPYPE Server and selected GAFF in atom-type and then obtained the topology files from the server.
I selected those with AMBER FF, included them in a new folder together with new pdb files, also obtained from the same server. I packed a specific number of the new pdb files of the ions together using packmol and changed it to .gro.
My .top file contain the atom types from the .itp files, and also the .itp files themselves. I named the residues appropriately, run the Dynamic and everything goes well. But I am doubting the correctness of my .top file because I can see that forcefield.itp file are included in it but in my case it is not!
I attached my .top file and looking forward to hear any correction from you.
Thank You.
topol.top (854 Bytes)