Question: Energy minimization error using gromacs
2.4 years ago by
med2018 • 0
med2018 • 0 wrote:
I'm new in molecular dynamics simulation. During energy minimization of my protein in gromacs, I got this error :
step 25: Water molecule starting at atom 741723 can not be settled. Check for bad contacts and/or reduce the timestep if appropriate.
Anyone has an idea ?
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