GROMACS version: 2020.2
GROMACS modification: No
System: C60 molecules inserted in a box
The energy minimization was completed successfully and the maximum force is less than 1000 kJ/mol/nm and the potential energy curve converges at the end, but the potential energy curve doesn’t look like the curve Justin showed in his online tutorials. Most of my y-axis is showing positive potential energy values while his curve shows only negative values.
I attached below a screenshot showing the difference between my curve (on the rights side) and Justin’s curve in the tutorial (on the left side).
Is that a problem and I need to continue energy minimization or it is fine as along ad the maximum force was less than 1000 and the energy converged at the end ?
If I still need to continue energy minimization, How can I do that ? should I decrease the maximum force value to be less than 1000 to make sure that the energy minimization will continue ?