I’m afraid I can’t give you any details how to do it, but pdb2gmx is not a suitable tool. See Fatal Error: Residue Not Found in the Residue Topology Database for a starting point, but unfortunately not a complete protocol.
I’m afraid I can’t give you any details how to do it, but pdb2gmx is not a suitable tool. See Fatal Error: Residue Not Found in the Residue Topology Database for a starting point, but unfortunately not a complete protocol.