[gmx-users] No default Angle types

Justin Lemkul jalemkul at vt.edu
Tue Oct 30 02:14:48 CET 2018

On 10/25/18 6:37 AM, antonia vyrkou wrote:
> Hello,
> After running gmx grompp I get multiple errors like the following:
> ERROR 568 [file topol_Other_chain_D2.itp, line 499]:
>    No default Angle types
> This line corresponds to the angle (using angletypes)
> HN1      NN1      HN1
> This angle (and all the other that I get errors for) is specified in the
> ffbonded.itp file I am using
> HN1      NN1      HN1     5   117.000000   259.408000   0.00000000
>   0.00
> I should note that I have checked my atp and rtp files and there are no
> problems there, all atoms and atomtypes are correctly specified

These atom types are from the nucleic acid force field, so the 
appearance in an "Other" chain topology would be very odd. I suspect 
you're looking at the wrong line or mapping to the wrong types. grompp 
would not complain about an HN1-NN1-HN1 angle.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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