GROMACS version: 2023.3
GROMACS modification: No
I tried to run energy minimization. But I get notice: One or more water molecules can not be settled.
I than done minimization of the system with md parameter define -DFLEXIBLE and minimization was fine. In order to prepare system to molecular dynamics I than run a second round of minimization with rigid water. Nevertheless, second found of minimization stops at 10-15 steps because systems reaches the Fmax < 1000.
Is it enough to have only 10-15 steps in the minimization with rigid water, or it is necessary to continue second round of minimization in order to prepare system for molecular dynamics?