Hi,
the T1P atom names in your pdb file must match the atom names in the
parameter file.
When you load your pdb file containing T1P, leap complains that one atom
name is unknown (cf section 4, in your e-mail):
> The file contained 1 atoms not in residue templates
A comparison between the atom names in the Y1P parameter file and your
pdb file reveals that "OG1" in your file must be renamed to "OG".
Then it should work.
All the best,
Anselm
Bioinformatik
Institut für Biochemie
Friedrich-Alexander-Universität Erlangen-Nürnberg
Germany
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Received on Wed Jan 27 2010 - 05:30:02 PST
