[gmx-users] Water molecule starting at atom 2640 can not be settled

[hugo verli]

I am a new GROMACS user. I am trying to make a 1ns protein simulation in a water
box. I received the following message:

t = 85.140 ps: Water molecule starting at atom 2640 can not be settled.
Check for bad contacts and/or reduce the timestep.Fatal error: 
t = 85.140 ps: Water molecule starting at atom 2640 can not be settled.
Check for bad contacts and/or reduce the timestep.

I am using a timestep of 2 fs, and the error occurred too with a timestep of
1fs.

Anyone know how can I fix it?

Thanks in advance for your attention,

Hugo Verli.