I am trying to use CHARMM-GUI to read a PDB structure (single-chain) that has an unresolved loop. I would like the missing residues to be capped with neutral termini, like this:
CHARMM-GUI has to recognize the two chains are separate. I haven't tested, but either a) you can put "TER" in your PDB file between chain "A" and "B" or b) rename the chain ID, such that chain "A" and "B" has different chain ID.