GROMACS version: 2020.4
I got a distorted structure for my dithiol cyclic structure after nvt equilibration so I decreased the number of steps but the issue still exists.The step of energy minimization couldn’t be completed as it always stops on the thiol atoms and I tried to increase the maximum force but also didn’t success
Energy minimization reached the maximum number of steps before the forces
reached the requested precision Fmax < 10.
writing lowest energy coordinates.
Steepest Descents did not converge to Fmax < 10 in 10001 steps.
Potential Energy = -7.7265070e+02
Maximum force = 9.2542824e+01 on atom 141
Norm of force = 1.1121471e+01
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