Pull simulations giving LINCS error

[hess]

This is a duplicate of:

LINCS error while performing pull simulations?

GROMACS version: 2023 GROMACS modification: No I am trying to calculate the PMF of a molecule through a lipid bilayer. I have an equilibrated bilayer. I inserted my molecule of interest (single molecule) using ‘insert-molecule’ commands. Then energy minimization was performed (with the molecule in the bilayer), followed by growing the molecule. Then I restrained the positions of the molecules in the bilayer, and only single atom of the molecule. Ran npt. After that I again ran npt simulati…