I am using the AMBER99SB-ILDN force field for simulation. While using pdb2gmx, I get a warning WARNING: Duplicate line found in or between hackblock and rtp entries.
I don’t get this warning while using other force fields like AMBER99SB or AMBER99.
I don’t understand why this warning is coming for the AMBER99SB-ILDN force field and not for others.
Can anyone suggest why this warning is coming for this specific force field and how I can remove this warning?
Dear Brijesh, GROMACS Forum would be a better place to post your queries.
And please post the full pdb2gmx screen output in case of such queries.
Regards,
Pallav