On Tue, May 04, 2010, tianyuan meng wrote:
> FATAL: Atom .R<NCYS 1>.A<H 14> does not have a type.
Atom names in the pdb file must match those in residue libraries. The
hydrogen atoms on N-terminal residues are named H1, H2, H3 (you can find this
out by looking at the files themselves (e.g. in $AMBERHOME/dat/leap/prep) or
by using the "desc" command in LEaP. You input file has an atom "H" on
the first residue, which is not in accordance with the PDB standard. Either
change its name, or (better) remove it from the file.
....dac
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Received on Tue May 04 2010 - 05:00:04 PDT
