[gmx-users] Fatal error: Atom O in residue CO 1 not found in rtp entry with 3 atoms while sorting atoms

[Justin A. Lemkul]

Nilesh Dhumal wrote:
> Hello,
> 
> I am getting the following error during pdb2gmx.
> 
> Fatal error: Atom O in residue CO 1 not found in rtp entry with 3 atoms 
> while sorting atoms
> 
> I checked the pdb file and ffopls.rtp file also.
> 

And what did you find?  To my knowledge there is no such residue "CO" in the 
ffoplsaa.rtp file.  Is this something you've added?  Regardless, there's a 
mismatch somewhere, so if you can't identify it, post the text of your 
coordinate file and the relevant .rtp entry to see if someone else can spot it.

-Justin

> Nilesh
> 
> 
> 
> 

-- 
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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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