Atom type names do not appear in the pdb files. What you see
there are called atom names. E.g. different atom names, like
C1 and C2, can be the same type.
Atom types are assigned in the residue definitions. The types
used there need to be defined in parm.dat/frcmod files, and
additionally need to be defined for leap by addAtomTypes.
Bill
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Received on Wed Feb 03 2010 - 11:30:02 PST
