[gmx-users] UNK not found in residue topology

[Justin A. Lemkul]

Janowicz, Adrianna C. wrote:
> Hello,
> 
> I'm getting an UNK not found in residue topology error message.
> I figured out what the error was and tried to add carbon to ffopslaa.rtf
> but it was unsucessful.
> 
> What can I do/How can I change my pdb file from UNK so that Carbon and
> Hydrogen can be recognized? (I built my own hydrocarbon strucutre and
> added it to an existing PDB file).
> 

I think you need to be a bit more specific about what you're trying to do.  Are 
you getting errors from pdb2gmx or some other tool?  If so, what are they? 
Otherwise, the only requirement for proper processing is that the PDB format be 
retained and that the atom names match what is expected in the .rtp file.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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