[gmx-users] Error while running grompp command

Nath, Dinesh Dinesh.Nath-1 at ou.edu
Sun Feb 17 15:45:26 CET 2019


I am running the gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr

And this is the error I am getting:

ERROR 1 [file rew.prm, line 36]:
  Encountered a second block of parameters for dihedral type 9 for the same
  atoms, with either different parameters and/or the first block has
  multiple lines. This is not supported.

Any advice to fix it.

Thank you in advance.

Dinesh Nath, Ph.D.
The University of Oklahoma
Postdoctoral Research Fellow
Department of Chemistry & Biochemistry
Institute for Natural Products Applications
& Research Technologies (INPART)
101 Stephenson Parkway
Norman, OK 73019
(412) 908-3476
dinesh.nath-1 at ou.edu<mailto:dinesh.nath-1 at ou.edu>

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