On Tue, Jul 24, 2007, Prem Prakash Pathak wrote:
> Loading PDB file: ./PTH.pdb
> Created a new atom named: H within residue: .R<NMET 1>
This means that your pdb file has an atom named "H" in the first residue, but
the hydrogens in an N-terminal residue in the Amber library are called "H1",
"H2" and "H3". The easiest thing to do is to remove this H atom from the pdb
file, and run tleap again.
...good luck...dac
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Received on Wed Jul 25 2007 - 06:07:35 PDT
