--- "David A. Case" <case.scripps.edu> wrote:
> On Mon, Mar 03, 2008, Francesco Pietra wrote:
>
> > FATAL: Atom .R<E 2700>.A<H 1> does not have a type.
>
> The most common cause of the problem like this is when you read in a pdb file
> that has an atom named "H" in residue 2700, but the template (library) file
> does not have such an atom. Of course, I can't tell if this is your problem
> or not.
>
> The log file usually has detailed information; you may have to run this in
> tleap to capture all of the errors in the buffer in xleap is not big enough.
While I plan to finally become familiar with tleap, I was most confused by
"2700" and similar high numbers: the protein has 445 residues. The membrane is
a series of POPC residues; small series because I made place for the protein
complex by deleting POPC residues. I was just trying to "combine" complex and
membrane in xleap, a procedure that performed well in similar cases . I have
just changed the ligand only in this case. May be this information may channel
me along the right direction.
Thanks
francesco pietra
>
> ...dac
>
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Received on Wed Mar 05 2008 - 06:07:24 PST
