Hi Jalemkul,
After adding “TER” to the pdb file, the pdb2gmx gets through, but the nickel ion is recognized as “other” in stead of ion. I get the “topol_Other_chain_A3.itp” and “posre_Other_chain_A3.itp” files for the ni ion. So how to make the gromacs recognize the “ni” as ion?
Thanks!