[gmx-users] Problem with topology generation by Amber 12 ff

Justin Lemkul jalemkul at vt.edu
Mon Dec 4 15:25:39 CET 2017

On 12/4/17 1:45 AM, Amir Zeb wrote:
> Hello gmx users,
> I have generated topology and coordinate files of ZN metalloprotein by
> Amber 12 ff. Now I am facing this following issue at grompp run:
> "ERROR 1 [file topol_Protein_chain_A.itp, line 49741]:
>    No default Improper Dih. types"
> If I use another ff like Amber99SB- ILDN, there is no such error. I
> searched out the solution on google but could not find the answer.
> Please help me how to fix this issue?

Which atoms are in that interaction on that line, and should there be 
such an interaction there?



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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