[gmx-users] Grommp Fatal Error

[Syed Azeem]

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

Azeem