[gmx-users] Dihedral around X,Y not found in topology.

[Abhishek Rathod]

Hi,
I am new to this list and to gromacs.

I used a pdb file 1PLX from the PDB database and ran gromacs on it.
While running the g_rama function, I got the following error.

"Dihedral around 23,25 not found in topology. Using mult=3
Dihedral around 25,28 not found in topology. Using mult=3
Dihedral around 30,32 not found in topology. Using mult=3
Dihedral around 32,35 not found in topology. Using mult=3
Dihedral around 37,39 not found in topology. Using mult=3
Dihedral around 39,55 not found in topology. Using mult=3"

which means that out of 5 phi-psi dihedral combinations 3 of them were not
found in the tpr file.
I used OPLS-AA force field.
Since, the most important information to me is the dihedral angles, getting
this kind of error makes my run totally futile.
If someone could help me get around this problem, I will be extremely
grateful.

Thanking in advance...
Regards,
Abhishek
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