[MMTK] CalphaForceField

Vasisht R. Tadigotla vasisht at eden.rutgers.edu
Fri Jul 22 21:35:19 CEST 2005


>
> Most probably the PDB file does not respect the PDB format well enough
> to let MMTK identify all the peptide chains. This is unfortunately not
> so rare. Your code is fine.
>
> To check what's going wrong, you could look at the residues in
> universe.protein and figure out which ones are missing. Then look at
> their PDB definition and look for anything unusual.

Thanks Konrad, the pdb file I was looking at had a couple of chains where
the residues were unknown, and were labelled UNK, and they were ignored
when I loaded the protein.

Vasisht



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