GROMACS version:2022.1
GROMACS modification: No
Dear all,
I am trying to do energy minimization of a simple water system. During energy minimization, at a few steps, I get this error “One or more water molecules can not be settled. Check for bad contacts and/or reduce the timestep if appropriate. Wrote pdb files with previous and current coordinates”. But after few steps, the process continues smoothly and energy is minimized nicely. Is it an actual error or just a message for that particular step. I have attached a screenshot for reference.
Thank you
