Steepest Descents converged to machine precision in 15 steps, but did not reach the requested Fmax <

User discussions
1

GROMACS version:
GROMACS modification: Yes/No
Hi, my complex is protein-ligand and submitted to gromacs for 100 ns but in energy minimization progress I am getting this error
Steepest Descents converged to machine precision in 15 steps,
but did not reach the requested Fmax < 1000.
so Do you have any suggestions to fix this error ?

2

What is the energy of the system? My guess is that it is very high due to overlapping atoms. If that is the case, you either need to remove the overlapping atoms or you can try compiling GROMACS in double precision for the energy minimization only.