[gmx-users] Problem regarding grompp command (Encountered a second block of parameters for dihedral type 9 for the same atoms...)

[Chem]

To 
Prof. Justin A. Lemkul &Gromacs Users
Dear Gromacs users

 I am learning MD simulation of protein-ligand interaction using an important Gromacs software, applied to my compound; 3b-Acetoxy-6-nitro cholest-5-ene.When I implemented the commands given below. I faced the problem.I read many questions and answers related to my problem, but I could not find the appropriate answer.

 $ gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr
ERROR 11 [file unk.prm, line 264]:

  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.

 

ERROR 12 [file unk.prm, line 265]:

  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.

 

Line 264             CG3C52   CG3C52   CG3RC1    CG311     9     0.000000     0.418400     3

Line 265             CG3C52   CG3C52   CG3RC1    CG311     9     0.000000     2.092000     4

.

.




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I need your kind help to overcome this problem, so I learn the simulation smoothly 

I look forward to your useful help with the above problem

Please suggest me what I should do




Regards
M. Alam