[gmx-users] Grommp Fatal Error

Syed Azeem syedazeemullah186 at gmail.com
Fri May 5 12:47:15 CEST 2017

Hi all,

I'm trying to simulate a Protein-Peptide docked complex.
I used Amber99sb-ildn ff with TIP3P. Since mine is a docked complex,
two separate topology and position restraint files were created as
chains A & B, automatically.

When I tried to generate the .tpr file for adding ions to the system,
I ended up with 3 errors in the topology file of chain A. The error
corresponded to [angles] and [dihedrals] of chain A.

Error message:

ERROR 1 [file topol_Protein_chain_A.itp, line 46901]:
  No default Angle types

ERROR 2 [file topol_Protein_chain_A.itp, line 65796]:
  No default Proper Dih. types

ERROR 3 [file topol_Protein_chain_A.itp, line 65798]:
  No default Proper Dih. types

How to overcome this error?

Thanks in advance


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