[gmx-users] OPLS-AA Unknown Atomtype

[Justin A. Lemkul]

Yao Yao wrote:
> Hi all,
> 
> I am constructing a new molecule in OPLS force field. Though I modified 
> ffbonded.itp, ffnonbonded.itp, atomtypes.atp
> aminoacids.rtp, it still gives error "Unknown Molecule_Atomtype". I have 
> opened all the files in the OPLS force field but really do not see any 
> other files I could modify.
> 

Please copy and paste the exact error message from the terminal, as well as the 
command that gave the error.  I can't find any reference in the code to the 
error you posted, but the actual screen output will have all the relevant 
information.

-Justin

> Does anyone have this kind of problem before?
> 
> Thanks,
> 
> Yao
> 

-- 
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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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